Stearic Acid

Stearic Acid

SCHEMBL11245833

CCCCCCCCCCCCCCCCCC(=O)O.COc1ccc(C(=O)O)cc1OC.COc1ccc(C(=O)O)cc1OC.COc1ccc(C(=O)O)cc1OC.OCC(CO)(CO)CO

nearest known ligand 0.64

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 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
POLB P06746 1/20 0.56
PLA2G4B P0C869 1/20 0.54
TSHR P16473 2/20 0.52
SMPD1 P17405 4/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
EPHX2 P34913 1/20 0.47
LTB4R Q15722 1/20 0.47
PLA2G2A P14555 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 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
Stearic Acid SCHEMBL11246448 0.92 CA12 (0.66) CA12CA1CA2CA4CA6
SCHEMBL11241386 0.88 PLA2G4B (0.65) CA12CA1CA2CA4CA6
SCHEMBL11246966 0.84 TSHR (0.63) CA12CA1CA2CA4CA6
Dodecanoate SCHEMBL109696 0.82 HTT (0.68) POLB
SCHEMBL109694 0.80 TOP2A (0.61) CA12CA1CA2CA4CA6
SCHEMBL14672687 0.80 TOP2A (0.61) CA12CA1CA2CA4CA6
SCHEMBL16077692 0.79 PLA2G4B (0.74) CA12CA1CA2CA4CA6
SCHEMBL2312195 0.79 PLA2G4B (0.74) CA12CA1CA2CA4CA6
SCHEMBL18682279 0.79 PLA2G4B (0.74) CA12CA1CA2CA4CA6
Octanoic Acid SCHEMBL9563658 0.79 CES2 (0.54) TSHRHDAC3HDAC2

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-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US disclosed