Dodecanoate

Dodecanoate

SCHEMBL6561600

CCCCCCCCCCCC(=O)O.CCO

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
GPR84 Q9NQS5 7/20 0.90
PPARG P37231 7/20 0.90
PPARD Q03181 7/20 0.90
PPARA Q07869 7/20 0.90
HDAC11 Q96DB2 5/20 0.90
TSHR P16473 4/20 0.90
PTPN1 P18031 3/20 0.90
FABP4 P15090 3/20 0.90
ALDH1A1 P00352 2/20 0.90
TLR2 O60603 2/20 0.90
TDP1 Q9NUW8 2/20 0.90
KMT2A Q03164 2/20 0.90
ALOX15 P16050 2/20 0.90
HSD17B10 Q99714 2/20 0.90
SLC22A6 Q4U2R8 1/20 0.90
SLC22A8 Q8TCC7 1/20 0.90
MEN1 O00255 1/20 0.90
ESR1 P03372 1/20 0.90
PDE4A P27815 1/20 0.90
PDE3A Q14432 1/20 0.90

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 SCHEMBL29564580 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL30135415 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL29543706 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL29656950 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL6563209 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL30605282 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL1830813 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL6563203 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL2575032 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL30799574 1.00 GPR84 (0.90) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116814138-A Self-cleaning UV (ultraviolet) coating and preparation method thereof 韶关市合众化工有限公司 2023-09-29 CN claimed
EP-0754031-B1 MULTILAMELLAR DRUG DELIVERY SYSTEMS SHIRE LAB INC (US) 2004-03-24 EP claimed
EP-0754031-A4 MULTILAMELLAR DRUG DELIVERY SYSTEMS PHARMAVENE INC (US) 2000-01-19 EP claimed
EP-0750494-A4 HYDROPHOBIC DRUG DELIVERY SYSTEMS PHARMAVENE INC (US) 1998-05-20 EP claimed
EP-0840611-A1 ORAL ACYCLOVIR DELIVERY PHARMAVENE, INC. (US) 1998-05-13 EP claimed
EP-0788346-A4 EMULSIFIED DRUG DELIVERY SYSTEMS PHARMAVENE INC (US) 1998-05-06 EP claimed
EP-0788346-A1 EMULSIFIED DRUG DELIVERY SYSTEMS PHARMAVENE, INC. (US) 1997-08-13 EP claimed
EP-0754031-A1 MULTILAMELLAR DRUG DELIVERY SYSTEMS PHARMAVENE, INC. (US) 1997-01-22 EP claimed
EP-0750494-A1 HYDROPHOBIC DRUG DELIVERY SYSTEMS PHARMAVENE, INC. (US) 1997-01-02 EP claimed
WO-1996040144-A1 ORAL ACYCLOVIR DELIVERY PHARMAVENE, INC. (US) 1996-12-19 WO claimed
WO-1996037215-A1 ORAL INSULIN DELIVERY PHARMAVENE, INC. (US) 1996-11-28 WO claimed
WO-1995027479-A1 MULTILAMELLAR DRUG DELIVERY SYSTEMS PHARMAVENE, INC. (US) 1995-10-19 WO claimed
WO-1995025505-A1 HYDROPHOBIC DRUG DELIVERY SYSTEMS PHARMAVENE, INC. (US) 1995-09-28 WO claimed
WO-1995025504-A1 EMULSIFIED DRUG DELIVERY SYSTEMS PHARMAVENE, INC. (US) 1995-09-28 WO claimed
US-5447729-A Hydrophilic-hydrophobic layers PHARMAVENE, INC. (US) 1995-09-05 US claimed
CN-116814138-A Self-cleaning UV (ultraviolet) coating and preparation method thereof 韶关市合众化工有限公司 2023-09-29 CN disclosed
CN-116814138-A Self-cleaning UV (ultraviolet) coating and preparation method thereof 韶关市合众化工有限公司 2023-09-29 CN disclosed
CN-111004486-A Super-hydrophobic self-luminous sound insulation screen and construction method 山东大学 2020-04-14 CN disclosed
CN-109593825-A It is a kind of detect glucose-6-phosphate isomerase kit and kit application method 浙江达美生物技术有限公司 2019-04-09 CN disclosed
US-5976516-A N-DIHYDROXYPROPYL-SUPSTITUTED AMIDE WITH MELTING POINT FROM 0-50 DEGREES C. IMPARTS HAIR WITH SUPPLENESS AND IMPROVE THE TOUCH FEELING. KAO CORPORATION (JP) 1999-11-02 US disclosed