SCHEMBL9014666

SCHEMBL9014666

O=C(O)COc1cccc2c1CCC=C2CCONC(CC1CCCC1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.51
PTGDR Q13258 1/20 0.48
TBXAS1 P24557 3/20 0.41
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
GPR132 Q9UNW8 1/20 0.34
REN P00797 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
SCHEMBL9085150 0.87 PTGIR (0.51) PTGIRPTGDRTBXAS1
SCHEMBL9014427 0.87 PTGIR (0.55) PTGIRPTGDRTBXAS1ITGB3ITGAV
SCHEMBL9014581 0.86 PTGIR (0.58) PTGIRPTGDRTBXAS1
SCHEMBL9014447 0.85 PTGIR (0.51) PTGIRPTGDRTBXAS1
SCHEMBL9014274 0.84 PTGIR (0.55) PTGIRPTGDRTBXAS1GPR132
SCHEMBL9014306 0.81 TBXAS1 (0.43) PTGIRTBXAS1ITGB3ITGAV
SCHEMBL9014311 0.81 TBXAS1 (0.43) PTGIRTBXAS1ITGB3ITGAV
SCHEMBL9014182 0.81 TBXAS1 (0.58) PTGIRTBXAS1
SCHEMBL9014489 0.81 PTGIR (0.58) PTGIRPTGDRTBXAS1
SCHEMBL9014224 0.77 PTGIR (0.62) PTGIRPTGDRTBXAS1

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