SCHEMBL9014426

SCHEMBL9014426

O=C(O)COc1cccc2c1CCCC2CCON=C(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 1.00
TBXAS1 P24557 1/20 0.86
PTGDR Q13258 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL9014199 0.94 PTGIR (0.89) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014195 0.94 PTGIR (0.89) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014454 0.93 TBXAS1 (1.00) PTGIRTBXAS1PTGDR
SCHEMBL9014466 0.93 TBXAS1 (1.00) PTGIRTBXAS1PTGDR
SCHEMBL9014591 0.90 PTGIR (0.82) PTGIRTBXAS1PTGDR
SCHEMBL9014604 0.87 TBXAS1 (0.90) PTGIRTBXAS1PTGDR
SCHEMBL9014513 0.87 TBXAS1 (0.90) PTGIRTBXAS1PTGDR
SCHEMBL9014281 0.85 PTGIR (0.75) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014277 0.85 PTGIR (0.75) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014420 0.85 TBXAS1 (0.87) 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 claimed
US-5480998-A Oxime derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US claimed