Stearic Acid

Stearic Acid

SCHEMBL9345826

CCCCCCCCCCCCCCCCCC(=O)O.NCc1ccccc1

nearest known ligand 0.59

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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 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 4/20 0.59
PTPN1 P18031 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
MEN1 O00255 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
ESR1 P03372 1/20 0.59
ALOX15 P16050 1/20 0.59
PDE4A P27815 1/20 0.59
PDE3A Q14432 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
Dodecanoate SCHEMBL27705448 1.00 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL2288500 1.00 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL31306249 0.93 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Oleic Acid SCHEMBL1699523 0.91 PPARG (0.66) PPARGPPARDPPARATSHRPTPN1
Oleic Acid SCHEMBL1699527 0.91 PPARG (0.66) PPARGPPARDPPARATSHRPTPN1
Azelaic Acid SCHEMBL31309960 0.91 MAPT (0.68) HDAC11TSHRKMT2AALDH1A1MEN1
Sebacic Acid SCHEMBL7203711 0.91 MAPT (0.68) HDAC11TSHRKMT2AALDH1A1MEN1
Adipic Acid SCHEMBL15656104 0.89 MAPT (0.64) HDAC11TSHRKMT2AALDH1A1MEN1
Decanoic Acid SCHEMBL27974822 0.87 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL5533389 0.87 MAPT (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362459-B1 Polyacrylate polymers utilizing substituted urea retarder ZEON CHEMICALS USA INC (US) 1994-08-10 EP claimed
EP-0362459-A1 Polyacrylate polymers utilizing substituted urea retarder Zeon Chemicals USA, Inc. (US) 1990-04-11 EP claimed