SCHEMBL8957291

SCHEMBL8957291

CC(C)c1cc(/C=C2\SCN(C)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.45
PTGS1 P23219 6/20 0.45
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
EEF2K O00418 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL8957294 1.00 PTGS2 (0.45) PTGS2PTGS1CYP1A2CYP3A4CYP2B6
SCHEMBL8537121 0.89 CYP1A2 (0.51) PTGS2PTGS1CYP1A2CYP3A4CYP2B6
SCHEMBL8537123 0.89 CYP1A2 (0.51) PTGS2PTGS1CYP1A2CYP3A4CYP2B6
SCHEMBL8532780 0.89 PTGS2 (0.56) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8532777 0.89 PTGS2 (0.56) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8893231 0.84 PTGS2 (0.48) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8991978 0.84 PTGS2 (0.48) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8895054 0.80 PTGS2 (0.44) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8933407 0.80 PTGS2 (0.44) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8894274 0.78 PTGS2 (0.43) PTGS2PTGS1CYP1A2CYP2C9ALOX5

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
EP-0691129-A2 Thiazolidone and pyrrolidinone compounds for inhibiting bone loss ELI LILLY AND COMPANY (US) 1996-01-10 EP disclosed