SCHEMBL8784134

SCHEMBL8784134

CC(C)(C)c1cc(C=C2SCN(C(=O)NO)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
PTGS1 P23219 7/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX5 P09917 2/20 0.45
EEF2K O00418 1/20 0.44
SRC P12931 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8784131 1.00 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL7700500 0.90 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL7700501 0.90 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8992117 0.88 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8897231 0.88 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL9304376 0.86 PTGS2 (0.51) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL9304372 0.86 PTGS2 (0.51) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8779594 0.81 PTGS2 (0.53) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8779600 0.81 PTGS2 (0.53) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8532777 0.81 PTGS2 (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed