SCHEMBL9048575

SCHEMBL9048575

O=C(O)COc1cccc2c1CCCC2CCC(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.64
TBXAS1 P24557 1/20 0.47
PRCP P42785 2/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
PTGDR Q13258 1/20 0.39
SLC6A9 P48067 3/20 0.38
SLC6A5 Q9Y345 3/20 0.38

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
SCHEMBL9048216 0.93 PTGIR (0.71) PTGIRTBXAS1PTGDR2
SCHEMBL9045328 0.91 PTGIR (0.64) PTGIRTBXAS1PTGDR2
SCHEMBL9047528 0.89 PTGIR (0.62) PTGIRTBXAS1SLC6A9SLC6A5
SCHEMBL9048350 0.87 PTGIR (0.69) PTGIRTBXAS1PTGDR2
SCHEMBL9050286 0.86 PTGIR (0.61) PTGIRTBXAS1
SCHEMBL9046463 0.85 PTGIR (0.62) PTGIRTBXAS1PTGDR2
SCHEMBL8858482 0.85 PTGIR (0.61) PTGIRTBXAS1
SCHEMBL9050622 0.83 PTGIR (0.62) PTGIRTBXAS1PTGDR2
SCHEMBL9048590 0.81 PTGIR (0.71) PTGIRTBXAS1PTGDR2
SCHEMBL9048529 0.81 PTGIR (0.66) 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 2 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