SCHEMBL9048596

SCHEMBL9048596

NC(=O)C(N=C(c1ccccc1)c1ccccc1)C1CCc2c(cccc2OC(=O)CO)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 0.43
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
PTGDR Q13258 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL9048146 0.86 PTGIR (0.60) PTGIRPTGDR
SCHEMBL9050999 0.83 PTGIR (0.48) PTGIRPTGDR
SCHEMBL9046342 0.82 PTGIR (0.38) PTGIRACHE
SCHEMBL9567947 0.80 TRPM8 (0.39) CA1CA2MTNR1AMTNR1B
SCHEMBL9427236 0.79 PTGIR (0.43) PTGIRCA1CA2ACHEMTNR1A
SCHEMBL9427127 0.78 PTGIR (0.43) PTGIRACHE
SCHEMBL9427442 0.78 PTGIR (0.41) PTGIRCA1CA2ACHEMTNR1A
SCHEMBL9048119 0.78 PTGIR (0.42) PTGIRCA1CA2ACHEMTNR1A
SCHEMBL9427048 0.74 PTGIR (0.52) PTGIR
SCHEMBL9048009 0.73 TBXAS1 (0.44) PTGIRPTGDR

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 1 patent. 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