SCHEMBL9014272

SCHEMBL9014272

O=C(O)COc1cccc2c1CC/C(=C/CO/N=C(/c1ccccc1)c1cccnc1)C2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.57
PTGIR P43119 3/20 0.51
PTGDR Q13258 1/20 0.45
TBXA2R P21731 11/20 0.42

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
SCHEMBL9014275 1.00 TBXAS1 (0.57) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014205 0.92 PTGIR (0.54) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014207 0.92 PTGIR (0.54) TBXAS1PTGIRPTGDRTBXA2R
SCHEMBL9014267 0.88 TBXAS1 (0.45) TBXAS1PTGIRPTGDR
SCHEMBL9014270 0.88 TBXAS1 (0.45) TBXAS1PTGIRPTGDR
SCHEMBL9014457 0.87 TBXAS1 (0.45) TBXAS1PTGIRPTGDR
SCHEMBL9014467 0.87 TBXAS1 (0.45) TBXAS1PTGIRPTGDR
SCHEMBL9014210 0.86 TBXAS1 (0.48) TBXAS1PTGIR
SCHEMBL9014211 0.86 TBXAS1 (0.48) TBXAS1PTGIR
SCHEMBL9014299 0.85 TBXAS1 (0.43) TBXAS1PTGIRTBXA2R

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