Stearic Acid

Stearic Acid

SCHEMBL27628964

CCCC(C)n1ccnc1.CCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.53

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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
TBXA2R P21731 3/20 0.50
TBXAS1 P24557 3/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11283338 0.89 TBXAS1 (0.54) TBXA2RTBXAS1TDP1KMT2A
SCHEMBL11283342 0.89 TBXAS1 (0.54) TBXA2RTBXAS1TDP1KMT2A
Hydrochloric Acid SCHEMBL11266012 0.87 TBXAS1 (0.55) TBXA2RTBXAS1TDP1
Bicarbonate SCHEMBL28519256 0.86 KDM4E (0.49) TBXA2RTBXAS1KMT2A
Propionic Acid SCHEMBL28145486 0.86 KDM4E (0.51) TBXAS1ALDH1A1KMT2A
Bicarbonate SCHEMBL28144511 0.85 KDM4E (0.54) TBXAS1ALDH1A1KMT2A
SCHEMBL15153572 0.85 TBXA2R (0.51) TBXA2RTBXAS1GPR84PPARGPPARD
SCHEMBL15153349 0.85 TBXA2R (0.51) TBXA2RTBXAS1GPR84PPARGPPARD
SCHEMBL15153406 0.85 TBXA2R (0.51) TBXA2RTBXAS1GPR84PPARGPPARD
SCHEMBL15153456 0.85 TBXA2R (0.51) TBXA2RTBXAS1GPR84PPARGPPARD

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
CN-1651089-A Nontoxic ionic liquid, preparation method and application thereof UNIV HEBEI NORMAL (CN) 2005-08-10 CN disclosed