SCHEMBL9014432

SCHEMBL9014432

O=C(O)COc1cccc2c1CCCC2C=CCON=C(c1ccccc1)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.72
PTGIR P43119 10/20 0.61
PTGDR Q13258 1/20 0.43
TBXA2R P21731 4/20 0.38

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
SCHEMBL9014424 1.00 TBXAS1 (0.72) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014419 1.00 TBXAS1 (0.72) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014458 0.93 PTGIR (0.61) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014449 0.93 PTGIR (0.61) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014443 0.93 PTGIR (0.61) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014488 0.93 PTGIR (0.67) TBXAS1PTGIRPTGDR
SCHEMBL9014550 0.93 PTGIR (0.67) TBXAS1PTGIRPTGDR
SCHEMBL9014558 0.93 PTGIR (0.67) TBXAS1PTGIRPTGDR
SCHEMBL9014480 0.89 TBXAS1 (0.58) TBXAS1PTGIRPTGDR
SCHEMBL9014478 0.89 TBXAS1 (0.58) 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 2 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
EP-0581187-A1 Oxime derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP disclosed