SCHEMBL9048548

SCHEMBL9048548

O=C(O)COc1cccc2c1CCCC2C(=O)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.51
TBXAS1 P24557 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 2/20 0.40
DRD4 P21917 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PDE5A O76074 1/20 0.39

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
SCHEMBL9050562 0.86 NPSR1 (0.43) PTGIRNPSR1ALDH1A1DRD4PDE5A
SCHEMBL9048484 0.85 PTGIR (0.56) PTGIRTBXAS1PTGDR2ALDH1A1KDM4E
SCHEMBL9046402 0.83 PTGIR (0.66) PTGIRTBXAS1PTGDR2ALDH1A1KDM4E
SCHEMBL9050555 0.82 NPSR1 (0.47) NPSR1ALDH1A1KDM4EPDE5A
SCHEMBL9046310 0.79 PTGIR (0.61) PTGIRTBXAS1PTGDR2DRD4
SCHEMBL9568017 0.78 KCNQ2 (0.53) NPSR1ALDH1A1KDM4EPDE5A
SCHEMBL8858726 0.78 PTGIR (0.56) PTGIRTBXAS1PTGDR2ALDH1A1KDM4E
SCHEMBL8858437 0.77 PTGIR (0.56) PTGIRTBXAS1PTGDR2DRD4
SCHEMBL8858415 0.77 PTGIR (0.56) PTGIRTBXAS1PTGDR2DRD4
SCHEMBL9046416 0.77 PTGIR (0.70) PTGIRTBXAS1PTGDR2DRD4

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