SCHEMBL9048602

SCHEMBL9048602

O=C(O)COc1cccc2c1CCC(CC(=O)NN=C(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 19/20 0.71
TBXAS1 P24557 1/20 0.51
PTGDR Q13258 2/20 0.49

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
SCHEMBL9047343 0.90 PTGIR (0.66) PTGIRPTGDR
SCHEMBL9427048 0.85 PTGIR (0.52) PTGIRTBXAS1
SCHEMBL9047535 0.84 PTGIR (0.62) PTGIRPTGDR
SCHEMBL9046359 0.82 PTGIR (0.61) PTGIRTBXAS1PTGDR
SCHEMBL9427446 0.81 PTGIR (1.00) PTGIRPTGDR
SCHEMBL9567949 0.81 ALDH1A1 (0.50) PTGIR
SCHEMBL9048143 0.80 PTGIR (0.70) PTGIRTBXAS1
SCHEMBL9048750 0.79 PTGIR (0.69) PTGIRTBXAS1
SCHEMBL9048866 0.78 PTGIR (0.68) PTGIRTBXAS1
SCHEMBL9427135 0.78 PTGIR (0.69) 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-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed