Stearic Acid

Stearic Acid

SCHEMBL11276581

CCCCCCCCCCCCCCCCCC(=O)[O-].O=S(=O)(O)O.OCC(O)CO.[Na+]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

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 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.57
GPR84 Q9NQS5 1/20 0.56
CA1 P00915 1/20 0.52
FABP3 P05413 7/20 0.50
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
Dodecanoate SCHEMBL327165 1.00 NFKB1 (0.57) NFKB1GPR84CA1FABP3KDM4E
Dodecanoate SCHEMBL5463543 0.93 NFKB1 (0.57) NFKB1GPR84CA1FABP3KDM4E
Stearic Acid SCHEMBL9092533 0.93 NFKB1 (0.65) NFKB1GPR84CA1FABP3KDM4E
Dodecanoate SCHEMBL27610497 0.93 NFKB1 (0.65) NFKB1GPR84CA1FABP3KDM4E
Octanoic Acid SCHEMBL17395727 0.93 NFKB1 (0.65) NFKB1GPR84CA1FABP3KDM4E
Stearic Acid SCHEMBL6911083 0.93 NFKB1 (0.65) NFKB1GPR84CA1FABP3KDM4E
Dodecanoate SCHEMBL11277766 0.93 NFKB1 (0.65) NFKB1GPR84CA1FABP3KDM4E
Palmitic Acid SCHEMBL11280216 0.93 NFKB1 (0.65) NFKB1GPR84CA1FABP3KDM4E
Stearic Acid SCHEMBL1502513 0.90 NFKB1 (0.59) NFKB1GPR84CA1FABP3KDM4E
Stearic Acid SCHEMBL8645895 0.90 NFKB1 (0.59) NFKB1GPR84CA1FABP3KDM4E

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-4328110-A Fabric conditioning articles and methods of use BEECHAM INC. (US) 1982-05-04 US disclosed