SCHEMBL8779557

SCHEMBL8779557

COc1cc(/C=C2/CCN(C(=O)NOCc3ccccc3)C2=O)cc(OC)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.51
ALOX5 P09917 5/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
XBP1 P17861 1/20 0.46
CYP2B6 P20813 1/20 0.46
MPI P34949 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PSMD14 O00487 1/20 0.45

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
SCHEMBL8779571 1.00 GPR183 (0.51) GPR183ALOX5MEN1KMT2APOLB
SCHEMBL8779645 0.85 CYP1A2 (0.45) GPR183ALOX5SIRT1
SCHEMBL8779650 0.85 CYP1A2 (0.45) GPR183ALOX5SIRT1
SCHEMBL8779788 0.81 MEN1 (0.58) ALOX5MEN1KMT2APOLBMAPT
SCHEMBL8779783 0.81 MEN1 (0.58) ALOX5MEN1KMT2APOLBMAPT
SCHEMBL9303653 0.70 CYP1A2 (0.43) ALOX5SIRT1
SCHEMBL8779733 0.70 CYP1A2 (0.43) ALOX5SIRT1
SCHEMBL8779693 0.68 CYP1A2 (0.53) ALOX5MEN1KMT2AALDH1A1GAA
SCHEMBL8779697 0.68 CYP1A2 (0.53) ALOX5MEN1KMT2AALDH1A1GAA
SCHEMBL23312286 0.68 GPR183 (1.00) GPR183MEN1KMT2APOLBMAPT

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