Stearic Acid

Stearic Acid

SCHEMBL4970044

CCCCCCCCCCCCCCCCCC(=O)O.O=S(=O)(O)O.[AlH3].[NaH]

nearest known ligand 0.74

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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 0.74
PPARG P37231 7/20 0.74
PPARD Q03181 7/20 0.74
PPARA Q07869 7/20 0.74
HDAC11 Q96DB2 5/20 0.74
TSHR P16473 4/20 0.74
PTPN1 P18031 3/20 0.74
FABP4 P15090 3/20 0.74
ALDH1A1 P00352 2/20 0.74
TLR2 O60603 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
KMT2A Q03164 2/20 0.74
ALOX15 P16050 2/20 0.74
HSD17B10 Q99714 2/20 0.74
SLC22A6 Q4U2R8 1/20 0.74
SLC22A8 Q8TCC7 1/20 0.74
MEN1 O00255 1/20 0.74
ESR1 P03372 1/20 0.74
PDE4A P27815 1/20 0.74
PDE3A Q14432 1/20 0.74

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
Behenic Acid SCHEMBL27704978 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL27276583 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL18197504 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Tridecanoate SCHEMBL28675555 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL28722049 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL28998397 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL4230923 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL28477534 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL138673 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL27505871 0.98 GPR84 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797166-B1 SURFACE CORROSION PROTECTION DETERGENT COMPOSITIONS CONTAINING POLYVALENT METAL COMPOUNDS AND HIGH LEVELS OF LOW FOAMING, NONIONIC SURFACTANTS PROCTER & GAMBLE (US) 2008-08-20 EP claimed