SCHEMBL9050353

SCHEMBL9050353

O=CC(=O)Oc1cccc2c1CCC2CCO

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.43
PTGIR P43119 5/20 0.41
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
BCHE P06276 2/20 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
SCHEMBL9050863 0.86 PTGIR (0.50) PTGIR
SCHEMBL9050857 0.85 PTGIR (0.43) ACHEPTGIR
SCHEMBL8811047 0.84 ACHE (0.45) ACHEPTGIRMAOAMAOBBCHE
SCHEMBL9050358 0.84 PTGIR (0.43) ACHEPTGIRMAOAMAOB
SCHEMBL8414338 0.82 ACHE (0.46) ACHEPTGIRMAOAMAOBBCHE
SCHEMBL8858535 0.79 ACHE (0.45) ACHEMAOAMAOBBCHE
SCHEMBL8858484 0.78 PTGIR (0.61) PTGIR
SCHEMBL8808959 0.78 PTGIR (0.47) PTGIR
SCHEMBL9050297 0.78 CHRM2 (0.46) PTGIR
SCHEMBL9053439 0.77 PTGIR (0.54) PTGIR

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 disclosed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed