Dodecanoate

Dodecanoate

SCHEMBL2153999

CCCCCCCCCCCC(=O)O.O

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Dodecanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD known ✓ Q03181 7/20 0.94
HDAC11 known ✓ Q96DB2 5/20 0.94
MEN1 known ✓ O00255 1/20 0.94
ESR1 known ✓ P03372 1/20 0.94
PDE4A known ✓ P27815 1/20 0.94
PDE3A known ✓ Q14432 1/20 0.94
GPR84 Q9NQS5 7/20 0.94
PPARG P37231 7/20 0.94
PPARA Q07869 7/20 0.94
TSHR P16473 4/20 0.94
PTPN1 P18031 3/20 0.94
FABP4 P15090 3/20 0.94
ALDH1A1 P00352 2/20 0.94
TLR2 O60603 2/20 0.94
TDP1 Q9NUW8 2/20 0.94
KMT2A Q03164 2/20 0.94
ALOX15 P16050 2/20 0.94
HSD17B10 Q99714 2/20 0.94
SLC22A6 Q4U2R8 1/20 0.94
SLC22A8 Q8TCC7 1/20 0.94

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Stearic Acid SCHEMBL4657422 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Tridecanoate SCHEMBL29624615 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL11297381 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL3958653 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL1169126 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL31619587 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL8058964 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL717819 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL4967667 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL27814676 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 206 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115253391-A High-temperature-resistant defoaming agent applied to sawdust white water and preparation method thereof 浙江金励环保纸业有限公司 2022-11-01 CN claimed
CN-115209859-A Composition for cosmetics 莱雅公司 2022-10-18 CN claimed
CN-115003272-A Composition for caring for keratin materials 莱雅公司 2022-09-02 CN claimed
CN-112057904-B Defoaming agent and production process and application thereof 北京金隅水泥节能科技有限公司 2021-07-09 CN claimed
CN-112057904-A Defoaming agent and production process and application thereof 北京金隅水泥节能科技有限公司 2020-12-11 CN claimed
CN-108867041-A A kind of short rayon fiber oiling agent and its application 浙江皇马科技股份有限公司 2018-11-23 CN claimed
CN-106978275-A A kind of non-water type vehicle cleaning detergent and preparation method thereof 芜湖扬展新材料科技服务有限公司 2017-07-25 CN claimed
CN-104928933-B Non-silicon oil carbon fiber protofilament oil agent 中国石油化工股份有限公司 2017-05-17 CN claimed
CN-105064019-A Nylon 6 short fiber spinning oil agent, preparation method and application thereof ZHEJIANG HUANGMA TECH CO LTD 2015-11-18 CN claimed
CN-104928933-A Non-silicon oil carbon fiber protofilament oil agent CHINA PETROLEUM & CHEMICAL 2015-09-23 CN claimed
CN-101443038-B Nicotine-carrier vaccine formulations CYTOS BIOTECHNOLOGY AG 2012-07-04 CN claimed
CN-101854912-A Multi-phasic, nano-structured compositions containing a combination of a fibrate and a statin NOVAVAX INC 2010-10-06 CN claimed
CN-101674813-A Multi-phasic pharmaceutical formulation of poorly water soluble drugs for reducing fed/fasted variability and improving oral bioavailability NOVAVAX INC 2010-03-17 CN claimed
CN-101646419-A Method of preparing solid dosage forms of multi-phasic pharmaceutical compositions NOVAVAX INC US 2010-02-10 CN claimed
CN-101443038-A Nicotine-carrier vaccine formulations CYTOS BIOTECHNOLOGY AG (CH) 2009-05-27 CN claimed
CN-100384468-C L-methionine as a stabilizer for NESP/EPO in hsa-free formulations KIRIN AMGEN INC (US) 2008-04-30 CN claimed
CN-1553811-A Human tissue urokinase type plasminogen activator formulation ӡ�����Ƽ��ɷ����޹�˾ 2004-12-08 CN claimed
CN-1140296-C Magnetic medicine-carried conveying material and preparation method thereof 山东大学 2004-03-03 CN claimed
CN-1319434-A Magnetic medicine-carried conveying material and preparation method thereof UNIV SHANDONG (CN) 2001-10-31 CN claimed
CN-1300597-A Composition for treating cancer by magnetic positioning and its preparing process UNIV SHANDONG (CN) 2001-06-27 CN claimed