Stearic Acid

Stearic Acid

SCHEMBL8430839

CCCCCCCCC(=C(OC)C(=O)O)c1ccccc1.CCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Stearic Acid. 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
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
PTGS2 P35354 1/20 0.48
HDAC11 Q96DB2 6/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
TSHR P16473 4/20 0.47
PTPN1 P18031 3/20 0.47

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
SCHEMBL7096425 0.96 CES2 (0.54) CES2CES1PTGS2
SCHEMBL32074 0.96 CES2 (0.54) CES2CES1PTGS2
SCHEMBL3084634 0.96 CES2 (0.54) CES2CES1PTGS2
SCHEMBL8092296 0.94 CES2 (0.53) CES2CES1PTGS2ESR1
SCHEMBL5178120 0.90 PTGS2 (0.57) CES2CES1PTGS2ALDH1A1ESR1
SCHEMBL29717021 0.87 CES2 (0.46) CES2CES1PTGS2
SCHEMBL7527911 0.87 CES2 (0.46) CES2CES1PTGS2
Octanoic Acid SCHEMBL3647827 0.86 CES2 (0.50) CES2CES1HDAC11HDAC3HDAC4
SCHEMBL31697573 0.85 CES2 (0.44) CES2CES1PTGS2
SCHEMBL38663795 0.85 TDP1 (0.50) CES2CES1PTGS2TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5976555-A EMULSIFIER SYSTEM JOHNSON & JOHNSON CONSUMER PRODUCTS, INC. (US) 1999-11-02 US disclosed