Stearic Acid

Stearic Acid

SCHEMBL10620295

CCCCCCCCCCCCCCCCCC(=O)O.C[C@@H](N)[C@@H](O)c1ccccc1

nearest known ligand 0.60

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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
ALDH1A1 P00352 4/20 0.60
ASAH1 Q13510 2/20 0.60
ACER2 Q5QJU3 1/20 0.60
ADRA2A P08913 1/20 0.59
ADRA2C P18825 1/20 0.59
LMNA P02545 1/20 0.59
HIF1A Q16665 1/20 0.59
KDM4E B2RXH2 1/20 0.59
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50

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 SCHEMBL10430551 0.86 GPR84 (0.55) ALDH1A1ASAH1ACER2GPR84PPARG
Hexanoate SCHEMBL28233555 0.84 AKR1B1 (0.53) ALDH1A1ASAH1ACER2GPR84PPARG
Stearic Acid SCHEMBL2369752 0.83 ALDH1A1 (0.69) ALDH1A1ASAH1ACER2ADRA2CLMNA
Decanoic Acid SCHEMBL2370923 0.83 ALDH1A1 (0.69) ALDH1A1ASAH1ACER2ADRA2CLMNA
Stearic Acid SCHEMBL2369756 0.83 ALDH1A1 (0.69) ALDH1A1ASAH1ACER2ADRA2CLMNA
Decanoic Acid SCHEMBL2370921 0.83 ALDH1A1 (0.69) ALDH1A1ASAH1ACER2ADRA2CLMNA
Octanoic Acid SCHEMBL28100072 0.83 GPR84 (0.59) ALDH1A1ASAH1ACER2GPR84PPARG
Diphenylmethanol SCHEMBL27813920 0.83 GPR84 (0.59) ALDH1A1ASAH1ACER2GPR84PPARG
(1S,2R)-Phenylpropanolamine SCHEMBL28117235 0.81 ASAH1 (0.59) ALDH1A1ASAH1ACER2ADRA2AADRA2C
Isopropylbenzene SCHEMBL27527935 0.81 AKR1B1 (0.57) ALDH1A1ASAH1ACER2GPR84PPARG

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
WO-1988002253-A1 COATING MEMBRANE AND COMPOSITIONS PREPARED THEREFROM VALDUCCI ROBERTO (IT) 1988-04-07 WO claimed