Stearic Acid

Stearic Acid

SCHEMBL5183203

CC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCNC(=N)N

nearest known ligand 0.55

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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
PLA2G2A P14555 1/20 0.55
PLA2G4A P47712 1/20 0.55
GPR84 Q9NQS5 7/20 0.55
PPARG P37231 7/20 0.55
PPARD Q03181 7/20 0.55
PPARA Q07869 7/20 0.55
HDAC11 Q96DB2 5/20 0.55
TSHR P16473 4/20 0.55
PTPN1 P18031 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TLR2 O60603 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
FABP4 P15090 2/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
MEN1 O00255 1/20 0.55
ESR1 P03372 1/20 0.55
ALOX15 P16050 1/20 0.55
PDE4A P27815 1/20 0.55
KMT2A Q03164 1/20 0.55

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
Tetradecanamide SCHEMBL5182998 0.92 FAAH (0.47) PLA2G2APLA2G4AGPR84PPARGPPARD
Palmitamide SCHEMBL5180724 0.92 FAAH (0.47) PLA2G2APLA2G4AGPR84PPARGPPARD
Acetic Acid SCHEMBL6696904 0.92 FAAH (0.47) PLA2G2APLA2G4AGPR84PPARGPPARD
Acetic Acid SCHEMBL2905199 0.88 EPHX1 (0.55) PLA2G2AMEN1KMT2A
Acetic Acid SCHEMBL3289314 0.88 EPHX1 (0.55) PLA2G2AMEN1KMT2A
Dodine SCHEMBL22124 0.88 EPHX1 (0.55) PLA2G2AMEN1KMT2A
Dodine SCHEMBL9055972 0.88 EPHX1 (0.55) PLA2G2AMEN1KMT2A
Dodine SCHEMBL9766434 0.88 EPHX1 (0.55) PLA2G2AMEN1KMT2A
Acetic Acid SCHEMBL2905260 0.88 EPHX1 (0.55) PLA2G2AMEN1KMT2A
Acetic Acid SCHEMBL29256286 0.88 EPHX1 (0.55) PLA2G2AMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282520-B2 External preparation LION CORPORATION (JP) 2007-10-16 US disclosed
EP-1437119-B1 EXTERNAL PREPARATION CONTAIINING GALLIC ACID DERIVATIVES LION CORP (JP) 2007-08-15 EP disclosed
EP-1437119-A1 EXTERNAL PREPARATION Lion Corporation (JP) 2004-07-14 EP disclosed