SCHEMBL8858482

SCHEMBL8858482

O=C(O)COc1cccc2c1CCCC2CCC(=O)NC(c1cccnc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.61
TBXAS1 P24557 3/20 0.60
KDM4C Q9H3R0 5/20 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
SCHEMBL9046463 0.98 PTGIR (0.62) PTGIRTBXAS1KDM4C
SCHEMBL9048216 0.90 PTGIR (0.71) PTGIRTBXAS1KDM4C
SCHEMBL8858499 0.90 PTGIR (0.60) PTGIRTBXAS1KDM4C
SCHEMBL8858502 0.87 PTGIR (0.60) PTGIRTBXAS1KDM4C
SCHEMBL8858624 0.87 TBXAS1 (0.59) PTGIRTBXAS1KDM4C
SCHEMBL9014526 0.85 TBXAS1 (0.63) PTGIRTBXAS1KDM4C
SCHEMBL8858663 0.85 TBXAS1 (0.57) PTGIRTBXAS1KDM4C
SCHEMBL8858464 0.85 TBXAS1 (0.57) PTGIRTBXAS1KDM4C
SCHEMBL9048575 0.85 PTGIR (0.64) PTGIRTBXAS1
SCHEMBL9045328 0.85 PTGIR (0.64) 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 6 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
US-5596009-A TREATMENT OF THROMBOSIS, ATHERIOSCLEROSIS, ANTIISCHEMIC AGENTS, ANTIULCER AGENTS OR HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-01-21 US disclosed
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP disclosed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed