SCHEMBL9048797

SCHEMBL9048797

NC(=O)C(N=C(c1ccccc1)c1ccccc1)C1CCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.59
TBXAS1 P24557 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.43
PTGDR Q13258 1/20 0.41

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
SCHEMBL9046353 0.94 PTGIR (0.53) PTGIRTBXAS1PTGDR2PTGDR
SCHEMBL9427127 0.86 PTGIR (0.43) PTGIRTBXAS1
SCHEMBL9050354 0.85 PTGIR (0.57) PTGIRTBXAS1PTGDR2PTGDR
SCHEMBL9046342 0.80 PTGIR (0.38) PTGIRTBXAS1
SCHEMBL9048479 0.79 PTGIR (0.50) PTGIRTBXAS1PTGDR2
SCHEMBL9048146 0.78 PTGIR (0.60) PTGIRPTGDR
SCHEMBL9050054 0.78 PTGIR (0.55) PTGIRTBXAS1PTGDR2
SCHEMBL9048942 0.78 PTGIR (0.55) PTGIRTBXAS1PTGDR2
SCHEMBL9568023 0.78 TRPM8 (0.48)
SCHEMBL9048588 0.77 PTGIR (0.54) 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