SCHEMBL9014513

SCHEMBL9014513

O=C(O)COc1cccc2c1CCC2CCON=C(c1ccccc1)c1cccnc1

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.90
PTGIR P43119 9/20 0.76
PTGDR Q13258 1/20 0.49
TBXA2R P21731 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
SCHEMBL9014604 1.00 TBXAS1 (0.90) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014466 0.95 TBXAS1 (1.00) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014454 0.95 TBXAS1 (1.00) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014417 0.88 TBXAS1 (0.87) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014420 0.88 TBXAS1 (0.87) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014195 0.87 PTGIR (0.89) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014199 0.87 PTGIR (0.89) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014426 0.87 PTGIR (1.00) TBXAS1PTGIRPTGDR
SCHEMBL9085669 0.86 TBXAS1 (0.84) TBXAS1PTGIRPTGDR
SCHEMBL9085663 0.86 TBXAS1 (0.84) TBXAS1PTGIRPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581187-B1 Oxime derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP claimed
EP-0581187-A1 Oxime derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP claimed
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