Stearic Acid

Stearic Acid

SCHEMBL1667358

CCCCCCCCCCCCCCCCCC(=O)O.NCCCNCCCCNCCCN

nearest known ligand 0.62

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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
PAOX Q6QHF9 1/20 0.62
GPR84 Q9NQS5 7/20 0.61
PPARG P37231 7/20 0.61
PPARD Q03181 7/20 0.61
PPARA Q07869 7/20 0.61
HDAC11 Q96DB2 5/20 0.61
TSHR P16473 4/20 0.61
PTPN1 P18031 3/20 0.61
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 3/20 0.61
TLR2 O60603 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
FABP4 P15090 2/20 0.61
MEN1 O00255 2/20 0.61
ALOX15 P16050 2/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
SLC22A8 Q8TCC7 1/20 0.61
ESR1 P03372 1/20 0.61
PDE4A P27815 1/20 0.61
PDE3A Q14432 1/20 0.61

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
Hexacosanoic Acid SCHEMBL30380127 1.00 PAOX (0.62) PAOXGPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL30380627 1.00 PAOX (0.62) PAOXGPR84PPARGPPARDPPARA
Arachidic Acid SCHEMBL30379954 1.00 PAOX (0.62) PAOXGPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL30379986 1.00 PAOX (0.62) PAOXGPR84PPARGPPARDPPARA
Adipic Acid SCHEMBL28060751 1.00 PAOX (0.62) PAOXGPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL29747007 0.98 PAOX (0.61) PAOXGPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL16027622 0.98 GPR84 (0.63) PAOXGPR84PPARGPPARDPPARA
SCHEMBL9249058 0.96 GPR84 (0.61) PAOXGPR84PPARGPPARDPPARA
Heptanoate SCHEMBL16028175 0.96 GPR84 (0.61) PAOXGPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL16027973 0.96 GPR84 (0.61) PAOXGPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2482802-A1 NOVEL PESTICIDE FORMULATIONS Burnet, Michael (DE) 2012-08-08 EP disclosed
WO-2011040956-A1 NOVEL PESTICIDE FORMULATIONS BURNET MICHAEL (DE) 2011-04-07 WO disclosed