Stearic Acid

Stearic Acid

SCHEMBL11064641

CCCCCCCCCCCCCCCCCC(=O)O.O=C1OC(=O)c2ccccc21

nearest known ligand 0.57

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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
GPR84 Q9NQS5 7/20 0.57
PPARG P37231 7/20 0.57
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
TSHR P16473 4/20 0.57
PTPN1 P18031 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TLR2 O60603 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
FABP4 P15090 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
MEN1 O00255 1/20 0.57
ESR1 P03372 1/20 0.57
ALOX15 P16050 1/20 0.57
PDE4A P27815 1/20 0.57
KMT2A Q03164 1/20 0.57
PDE3A Q14432 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
Sebacic Acid SCHEMBL4451750 0.91 TDP1 (0.56) HDAC11TSHRALDH1A1TDP1ALOX15
Phthalic Anhydride SCHEMBL6437106 0.89 ALOX15 (0.58) HDAC11TSHRALDH1A1TDP1FABP4
Nonanoate SCHEMBL11749939 0.89 CDC25A (0.46) GPR84PPARGPPARDPPARAHDAC11
Phthalic Anhydride SCHEMBL28312849 0.88 ALOX15 (0.56) HDAC11TSHRALDH1A1TDP1FABP4
Stearic Acid SCHEMBL3368084 0.87 ASAH1 (0.45) GPR84PPARGPPARDPPARAHDAC11
Phthalic Anhydride SCHEMBL9493894 0.85 FFAR4 (0.58) FFAR1FFAR4CDC25ACDC25BCDC25C
Anthraquinone SCHEMBL6925768 0.84 AKR1B1 (0.59) GPR84PPARGPPARDPPARAHDAC11
Phthalic Anhydride SCHEMBL23672547 0.84 ALOX15 (0.67) TSHRPTPN1ALDH1A1TDP1ALOX15
Phthalic Anhydride SCHEMBL28188306 0.82 TDP1 (0.64) HDAC11TSHRALDH1A1TDP1MEN1
Phthalic Acid SCHEMBL11322985 0.81 ALDH1A1 (0.48) HDAC11ALDH1A1TDP1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452936-A Oligomerized acids as scorch inhibitors for carboxylated rubbers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-06-05 US disclosed
US-4005978-A Candle wax composition FELTON INTERNATIONAL, INC. (US) 1977-02-01 US disclosed