SCHEMBL8779783

SCHEMBL8779783

COc1cc(/C=C2/CCN(C(=O)NO)C2=O)cc(OC)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
CYP3A4 P08684 3/20 0.58
KDM4E B2RXH2 2/20 0.58
POLB P06746 2/20 0.58
HTT P42858 2/20 0.58
CYP2B6 P20813 2/20 0.58
HPGD P15428 1/20 0.58
XBP1 P17861 1/20 0.58
MPI P34949 1/20 0.58
RECQL P46063 1/20 0.58
BLM P54132 1/20 0.58
MCL1 Q07820 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALOX5 P09917 1/20 0.48
TUBB4A P04350 6/20 0.44
TUBB P07437 6/20 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
SCHEMBL8779788 1.00 MEN1 (0.58) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL8779557 0.81 GPR183 (0.51) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL8779571 0.81 GPR183 (0.51) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL8779612 0.80 CYP1A2 (0.58) MEN1KMT2AALOX5CYP1A2CYP2C9
SCHEMBL8779615 0.80 CYP1A2 (0.58) MEN1KMT2AALOX5CYP1A2CYP2C9
SCHEMBL6855774 0.74 MAPT (1.00) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6853712 0.74 MAPT (1.00) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL8779693 0.73 CYP1A2 (0.53) MEN1KMT2AALOX5CYP1A2CYP2C9
SCHEMBL8779697 0.73 CYP1A2 (0.53) MEN1KMT2AALOX5CYP1A2CYP2C9
SCHEMBL6851637 0.72 MEN1 (0.88) MEN1KMT2ALMNASMN1; SMN2MAPT

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