Stearic Acid

Stearic Acid

SCHEMBL6298635

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)NCCCC)C(=O)O.CCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.61

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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 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.61
KDM4E B2RXH2 1/20 0.57
FAAH O00519 6/20 0.55
PLA2G10 O15496 2/20 0.55
NOD1 Q9Y239 1/20 0.54
FFAR4 Q5NUL3 1/20 0.53
FFAR1 O14842 1/20 0.53
PLA2G2C Q5R387 1/20 0.52
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 0.52
CASP2 P42575 1/20 0.51
PLA2G2A P14555 1/20 0.51
PLA2G4A P47712 1/20 0.51

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
SCHEMBL8858320 0.92 CASP2 (0.61) EPHX2FAAHNOD1CASP2
SCHEMBL8858327 0.91 CASP2 (0.59) EPHX2KDM4EFAAHNOD1CASP2
SCHEMBL6238522 0.91 CASP2 (0.59) EPHX2KDM4EFAAHNOD1CASP2
SCHEMBL498119 0.89 FAAH (0.56) EPHX2FAAHNOD1CNR1CNR2
SCHEMBL8958476 0.89 FAAH (0.56) EPHX2FAAHNOD1CNR1CNR2
SCHEMBL8958634 0.89 FAAH (0.56) EPHX2FAAHNOD1CNR1CNR2
SCHEMBL8958626 0.89 FAAH (0.56) EPHX2FAAHNOD1CNR1CNR2
SCHEMBL8958606 0.89 FAAH (0.56) EPHX2FAAHNOD1CNR1CNR2
Dodecanoate SCHEMBL28870307 0.87 EPHX2 (0.76) EPHX2KDM4EFAAHFFAR4FFAR1
SCHEMBL8858321 0.87 CASP2 (0.57) EPHX2KDM4EFAAHNOD1CASP2

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-6916521-B2 Cleaning medium for magnetic recording apparatus FUJI PHOTO FILM CO., LTD. (JP) 2005-07-12 US disclosed