SCHEMBL8858692

SCHEMBL8858692

O=C(O)COc1cccc2c1CCCC2C=CC(=O)NN(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.65
TBXAS1 P24557 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
LIPG Q9Y5X9 1/20 0.40
PTGER1 P34995 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGDR Q13258 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37

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
SCHEMBL8858688 1.00 PTGIR (0.65) PTGIRTBXAS1PTGDR2LIPGPTGER1
SCHEMBL8858460 0.94 PTGIR (0.59) PTGIRTBXAS1PTGDR2PTGER1PTGER3
SCHEMBL9427411 0.86 PTGIR (0.48) PTGIRLIPGTAS1R3TAS1R1TAS1R2
SCHEMBL8858471 0.83 PTGIR (0.54) PTGIRTBXAS1PTGDR2LIPG
SCHEMBL8858469 0.83 PTGIR (0.54) PTGIRTBXAS1PTGDR2LIPG
SCHEMBL9046416 0.81 PTGIR (0.70) PTGIRTBXAS1PTGDR2
SCHEMBL8858680 0.80 PTGIR (0.67) PTGIRTBXAS1PTGDR2LIPGPTGER1
SCHEMBL9427087 0.80 PTGIR (0.81) PTGIRTBXAS1PTGDR2
SCHEMBL9048557 0.78 PTGIR (1.00) PTGIRTBXAS1PTGDR2
SCHEMBL8858478 0.78 PTGIR (0.54) PTGIRTBXAS1PTGDR2

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 5 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
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP 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