Acetophenone

Acetophenone

SCHEMBL4356164

CC(=O)c1ccccc1.O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Acetophenone. 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
MEN1 known ✓ O00255 1/20 0.52
PARP1 known ✓ P09874 1/20 0.50
MAPT P10636 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HPGD P15428 4/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
CES2 O00748 3/20 0.59
CES1 P23141 3/20 0.59
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
TSHR P16473 3/20 0.55
DAO P14920 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 2/20 0.50
MAOB P27338 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
Acetophenone SCHEMBL8054906 1.00 MAPT (0.68) MAPTSMN1; SMN2HPGDALDH1A1LMNA
Acetophenone SCHEMBL27759678 0.97 MAPT (0.65) MAPTSMN1; SMN2HPGDALDH1A1LMNA
Acetophenone SCHEMBL27462873 0.97 MAPT (0.71) MAPTSMN1; SMN2HPGDALDH1A1LMNA
Acetophenone SCHEMBL30537005 0.97
Acetophenone SCHEMBL719033 0.97 MAPT (0.71) MAPTSMN1; SMN2HPGDALDH1A1LMNA
Acetophenone SCHEMBL737 0.97
Acetophenone SCHEMBL16745259 0.97
Acetophenone SCHEMBL1450855 0.97
Acetophenone SCHEMBL30537000 0.97
Acetophenone SCHEMBL11876785 0.94 MAPT (0.68) MAPTSMN1; SMN2HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029236-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'Oreal (FR) 2009-03-04 EP claimed
WO-2007135298-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL (FR) 2007-11-29 WO claimed
CN-117925654-A Pseudomonas putida omega-aminotransferase gene with wide substrate spectrum and application thereof 山西大学 2024-04-26 CN disclosed
CN-219347024-U Cooling device for acetophenone production 海城利奇碳材有限公司 2023-07-14 CN disclosed
CN-109937255-A Original seed event EE-GH7 and method and kit for identifying the event in the biological sample 巴斯夫农业种子解决方案美国有限责任公司 2019-06-25 CN disclosed
CN-105745273-B resin composition and cured product thereof 株式会社大赛璐 2019-05-07 CN disclosed
CN-109400601-A A kind of pyrazole derivatives and its preparation and use of pyrazolyl containing substitution 海利尔药业集团股份有限公司 2019-03-01 CN disclosed
CN-108503518-A A kind of preparation and its application of compound sepiolite base catalyst 湖南师范大学 2018-09-07 CN disclosed
CN-107287234-A The ways and means of modified plant genome 拜尔作物科学公司 2017-10-24 CN disclosed
CN-107250914-A Upper layer film formation composition and the pattern formation method of the upper layer film formation composition and the manufacture method of electronic device are used 富士胶片株式会社 2017-10-13 CN disclosed
EP-2862889-B1 METHOD FOR PRODUCING SOLID POLYMETHYLALUMINOXANE COMPOSITION HAVING SMALL PARTICLE DIAMETER TOSOH FINECHEM CORP (JP) 2017-01-04 EP disclosed
CN-1286710-A Method for producing polycarbonate IDEMITSU KOSAN CO (JP) 2001-03-07 CN disclosed
CN-1278076-A Agent for lowering dependence of substrate WAKO PURE CHEM IND LTD (JP) 2000-12-27 CN disclosed
CN-1019571-B Process for preparing biphenyl-n-propylamine derivatives and their salts CHINOIN GYOGYSZER ES VEGYESZET (HU) 1992-12-23 CN disclosed
US-4929677-A MOLDING MATERIALS, POLYESTERS AND VINYL AROMATIC COMPOUNDS/N-PHENYL MALEIMIDE COPOLYMER BLENDS; IMPACT STRENGTH ARCO CHEMICAL TECHNOLOGY, INC. (US) 1990-05-29 US disclosed
CN-87108295-A New alkane sulfonyl aniline derivative and its medicinal compositions and preparation method 1988-07-13 CN disclosed
US-4160088-A HALOGENATION OF KETONE, ALKANOL, HYDROLYSIS GENERAL ELECTRIC COMPANY (US) 1979-07-03 US disclosed
US-4158094-A BLOWING AGENTS GENERAL ELECTRIC COMPANY (US) 1979-06-12 US disclosed
US-4152440-A DIURETICS, ANALGESICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-01 US disclosed
US-4097671-A 5-PHENYL-3,6-DIHYDRO-1,3,4-OXADIAZIN-2-ONE, THERMOPLASTIC POLYMER BLOWING AGENT GENERAL ELECTRIC COMPANY (US) 1978-06-27 US disclosed