Stearic Acid

Stearic Acid

SCHEMBL9317244

CCCCCCCCCCCCCCCCCC(=O)O.S=C(Nc1ccccc1)c1ccccc1.[PbH2]

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
SOAT2 O75908 1/20 0.52
SOAT1 P35610 1/20 0.52
ALDH1A1 P00352 4/20 0.50
EPHX1 P07099 3/20 0.50
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
HTT P42858 1/20 0.50
ICMT O60725 1/20 0.49
ALB P02768 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
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

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 SCHEMBL9316968 1.00 SOAT2 (0.52) SOAT2SOAT1ALDH1A1EPHX1CES2
Stearic Acid SCHEMBL9317212 0.97 SOAT2 (0.52) SOAT2SOAT1ALDH1A1EPHX1CES2
Glutarate SCHEMBL9316643 0.88 NPC1 (0.53) ALDH1A1EPHX1HTTNPC1HPGD
Behenic Acid SCHEMBL9316970 0.86 CES2 (0.51) SOAT2SOAT1ALDH1A1EPHX1CES2
Stearic Acid SCHEMBL9317247 0.86 CES2 (0.51) SOAT2SOAT1ALDH1A1EPHX1CES2
Stearic Acid SCHEMBL9317214 0.86 CES2 (0.51) SOAT2SOAT1ALDH1A1EPHX1CES2
Stearic Acid SCHEMBL9469601 0.84 ALDH1A1 (0.56) SOAT2SOAT1ALDH1A1EPHX1HTT
Diphenylamine SCHEMBL21145265 0.82 GPR84 (0.61) SOAT2SOAT1ALDH1A1CES2CES1
Dodecanoate SCHEMBL21145309 0.82 GPR84 (0.61) SOAT2SOAT1ALDH1A1CES2CES1
Palmitic Acid SCHEMBL9330998 0.82 GPR84 (0.61) SOAT2SOAT1ALDH1A1CES2CES1

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-5354514-A Heating mixture of thioamide compound and copper- or lead-containing compound JUJO PAPER CO., LTD. (JP) 1994-10-11 US disclosed