SCHEMBL9014586

SCHEMBL9014586

O=C(O)COc1cccc2c1CCC(CON=C(Cc1cc[nH]c1)c1ccccc1)C2

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 19/20 0.69
TBXAS1 P24557 1/20 0.43
PTGDR Q13258 2/20 0.43

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
SCHEMBL9014582 1.00 PTGIR (0.69) PTGIRTBXAS1PTGDR
SCHEMBL9014616 0.85 PTGIR (0.49) PTGIRTBXAS1
SCHEMBL9014622 0.85 PTGIR (0.49) PTGIRTBXAS1
SCHEMBL9014206 0.84 PTGIR (0.68) PTGIRTBXAS1PTGDR
SCHEMBL9014209 0.84 PTGIR (0.68) PTGIRTBXAS1PTGDR
SCHEMBL9014602 0.83 PTGIR (0.68) PTGIRTBXAS1PTGDR
SCHEMBL9014606 0.83 PTGIR (0.68) PTGIRTBXAS1PTGDR
SCHEMBL9014561 0.82 PTGIR (0.59) PTGIRTBXAS1PTGDR
SCHEMBL9014568 0.82 PTGIR (0.59) PTGIRTBXAS1PTGDR
SCHEMBL9014459 0.79 PTGIR (0.42) PTGIRTBXAS1PTGDR

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