SCHEMBL8858415

SCHEMBL8858415

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.46
TBXAS1 P24557 1/20 0.44
LMNA P02545 1/20 0.44
DRD4 P21917 1/20 0.42
NR1H3 Q13133 1/20 0.42

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
SCHEMBL8858437 0.87 PTGIR (0.56) PTGIRPTGDR2TBXAS1DRD4
SCHEMBL8858477 0.87 PTGIR (0.52) PTGIRPTGDR2TBXAS1
SCHEMBL9427064 0.86 LMNA (0.45) PTGIRLMNADRD4NR1H3
SCHEMBL9046175 0.85 PTGIR (0.60) PTGIRPTGDR2TBXAS1DRD4
SCHEMBL9048631 0.85 PTGIR (0.54) PTGIRPTGDR2TBXAS1DRD4
SCHEMBL9050622 0.83 PTGIR (0.62) PTGIRPTGDR2TBXAS1
SCHEMBL9048216 0.82 PTGIR (0.71) PTGIRPTGDR2TBXAS1
SCHEMBL8858726 0.81 PTGIR (0.56) PTGIRPTGDR2TBXAS1NR1H3
SCHEMBL9046416 0.81 PTGIR (0.70) PTGIRPTGDR2TBXAS1DRD4
SCHEMBL9048350 0.80 PTGIR (0.69) 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 3 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