SCHEMBL9014489

SCHEMBL9014489

O=C(O)COc1cccc2c1CCC=C2CCONC(c1ccccc1)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.58
PTGDR Q13258 1/20 0.58
SIGMAR1 Q99720 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TBXAS1 P24557 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9014581 0.92 PTGIR (0.58) PTGIRPTGDRSIGMAR1TBXAS1
SCHEMBL9014427 0.84 PTGIR (0.55) PTGIRPTGDRSIGMAR1TBXAS1
SCHEMBL9014274 0.84 PTGIR (0.55) PTGIRPTGDRSIGMAR1TBXAS1
SCHEMBL9014666 0.81 PTGIR (0.51) PTGIRPTGDRTBXAS1
SCHEMBL9014447 0.81 PTGIR (0.51) PTGIRPTGDRSIGMAR1TBXAS1
SCHEMBL9014200 0.80 PTGIR (0.55) PTGIRPTGDRSIGMAR1
SCHEMBL9085150 0.80 PTGIR (0.51) PTGIRPTGDRTBXAS1
SCHEMBL8858403 0.79 PTGIR (0.61) PTGIRPTGDRSIGMAR1
SCHEMBL9014259 0.78 PTGIR (0.89) PTGIRPTGDRTDP1TBXAS1ALDH1A1
SCHEMBL9014255 0.78 PTGIR (0.89) PTGIRPTGDRTDP1TBXAS1ALDH1A1

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