SCHEMBL8858477

SCHEMBL8858477

O=C(O)COc1cccc2c1CCCC2C(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.42
TBXAS1 P24557 1/20 0.42
F11 P03951 1/20 0.40
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL8858415 0.87 PTGIR (0.56) PTGIRPTGDR2TBXAS1
SCHEMBL9047995 0.85 PTGIR (0.58) PTGIRPTGDR2TBXAS1
SCHEMBL9048529 0.83 PTGIR (0.66) PTGIRPTGDR2TBXAS1
SCHEMBL8858437 0.83 PTGIR (0.56) PTGIRPTGDR2TBXAS1
SCHEMBL9046175 0.81 PTGIR (0.60) PTGIRPTGDR2TBXAS1
SCHEMBL9049799 0.81 F11 (0.42) F11
SCHEMBL9048631 0.80 PTGIR (0.54) PTGIRPTGDR2TBXAS1
SCHEMBL9568034 0.79 PSMB5 (0.57) F11
SCHEMBL8858726 0.78 PTGIR (0.56) PTGIRPTGDR2TBXAS1
SCHEMBL9046416 0.77 PTGIR (0.70) PTGIRPTGDR2TBXAS1

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-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
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