SCHEMBL9048637

SCHEMBL9048637

O=C(CO)Oc1cccc2c1CCC(C(=O)NOC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.45
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACHE P22303 2/20 0.38
EPHX2 P34913 1/20 0.38
TBXAS1 P24557 2/20 0.37
S1PR5 Q9H228 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
DRD2 P14416 1/20 0.35

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
SCHEMBL9048642 0.86 PTGIR (0.62) PTGIRTBXAS1
SCHEMBL9045875 0.85 LMNA (0.47) PTGIRCA1CA2ACHEEPHX2
SCHEMBL9048863 0.84 PTGIR (0.51) PTGIRTBXAS1
SCHEMBL9048633 0.80 PTGIR (0.38) PTGIREPHX2S1PR5
SCHEMBL9568170 0.80 P2RX7 (0.45) EPHX2MTNR1AMTNR1B
SCHEMBL9046170 0.78 PTGIR (0.44) PTGIRACHE
SCHEMBL9048978 0.76 PTGIR (0.41) PTGIRACHE
SCHEMBL9427236 0.74 PTGIR (0.43) PTGIRCA1CA2ACHES1PR5
SCHEMBL9048138 0.73 PTGIR (0.52) PTGIRTBXAS1
SCHEMBL9048119 0.73 PTGIR (0.42) PTGIRCA1CA2ACHES1PR5

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