SCHEMBL8412740

SCHEMBL8412740

COC(=O)COc1cccc2c1CCC(Cc1nc(C(c3ccccc3)c3ccccc3)co1)C2

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.53
TBXAS1 P24557 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
SCHEMBL8412758 0.91 PTGIR (0.63) PTGIRTBXAS1
SCHEMBL8412742 0.87 PTGIR (0.47) PTGIRTBXAS1
SCHEMBL8412761 0.86 PTGIR (0.48) PTGIRTBXAS1
SCHEMBL8414369 0.85 PTGIR (0.50) PTGIRTBXAS1
SCHEMBL8813423 0.85 PTGIR (0.47) PTGIRTBXAS1
SCHEMBL8410714 0.81 PTGIR (0.51) PTGIRTBXAS1
SCHEMBL8412757 0.81 PTGIR (0.49) PTGIRTBXAS1
SCHEMBL8410751 0.80 CYP19A1 (0.50) PTGIR
SCHEMBL8413469 0.76 PTGIR (0.84) PTGIRTBXAS1
SCHEMBL8410703 0.76 PTGIR (0.59) PTGIRTBXAS1

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
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