SCHEMBL8414342

SCHEMBL8414342

O=C(O)COc1cccc2c1CCC(Cc1cc(C(c3ccccc3)c3ccccc3)no1)C2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 19/20 0.63
TBXAS1 P24557 1/20 0.49
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
SCHEMBL8414344 0.88 PTGIR (0.48) PTGIRTBXAS1
SCHEMBL8411139 0.85 PTGIR (0.61) PTGIRTBXAS1PTGDR
SCHEMBL8410974 0.84 PTGIR (0.63) PTGIRTBXAS1PTGDR
SCHEMBL8414330 0.83 CYP19A1 (0.50) PTGIR
SCHEMBL8412758 0.82 PTGIR (0.63) PTGIRTBXAS1PTGDR
SCHEMBL8410703 0.82 PTGIR (0.59) PTGIRTBXAS1PTGDR
SCHEMBL8810501 0.81 PTGIR (0.55) PTGIRTBXAS1PTGDR
SCHEMBL8812732 0.81 PTGIR (0.55) PTGIRTBXAS1PTGDR
SCHEMBL8413612 0.79 PTGIR (0.59) PTGIRTBXAS1PTGDR
SCHEMBL8414253 0.79 PTGIR (0.75) PTGIRPTGDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed