SCHEMBL9014274

SCHEMBL9014274

O=C(O)COc1cccc2c1CCC=C2CCONC(Cc1cccnc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.55
PTGDR Q13258 1/20 0.52
KMT2A Q03164 2/20 0.38
TBXAS1 P24557 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NOTUM Q6P988 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL9014427 0.95 PTGIR (0.55) PTGIRPTGDRKMT2ATBXAS1MAPK1
SCHEMBL9014581 0.89 PTGIR (0.58) PTGIRPTGDRKMT2ATBXAS1MAPK1
SCHEMBL9014200 0.85 PTGIR (0.55) PTGIRPTGDRSIGMAR1
SCHEMBL9014489 0.84 PTGIR (0.58) PTGIRPTGDRTBXAS1SIGMAR1
SCHEMBL9014666 0.84 PTGIR (0.51) PTGIRPTGDRTBXAS1GPR132
SCHEMBL9014447 0.84 PTGIR (0.51) PTGIRPTGDRKMT2ATBXAS1SIGMAR1
SCHEMBL9085150 0.83 PTGIR (0.51) PTGIRPTGDRTBXAS1
SCHEMBL9014215 0.79 TBXAS1 (0.39) PTGIRKMT2ATBXAS1MAPK1HTT
SCHEMBL9014217 0.79 TBXAS1 (0.39) PTGIRKMT2ATBXAS1MAPK1HTT
SCHEMBL9014462 0.78 TBXAS1 (0.60) PTGIRTBXAS1MAPK1SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581187-B1 Oxime derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5480998-A Oxime derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0581187-A1 Oxime derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP disclosed