SCHEMBL7601111

SCHEMBL7601111

C=C(O)CCc1cccc(NC(=O)C(c2ccc(Cn3nc(-c4ccccc4)oc3=O)cc2)C2CCCC2)c1C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.55
PTGS2 P35354 15/20 0.53

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
SCHEMBL1178081 0.94 PTGES (0.63) PTGESPTGS2
SCHEMBL7605728 0.90 PTGES (0.52) PTGESPTGS2
SCHEMBL1069158 0.90 PTGES (0.52) PTGESPTGS2
SCHEMBL1083357 0.86 PTGS2 (0.49) PTGESPTGS2
SCHEMBL7601841 0.85 PTGES (0.52) PTGESPTGS2
SCHEMBL7606160 0.81 PTGS2 (0.61) PTGESPTGS2
SCHEMBL1178046 0.80 PTGES (0.64) PTGESPTGS2
SCHEMBL3702669 0.79 PTGES (0.60) PTGESPTGS2
SCHEMBL1178402 0.78 PTGS2 (0.67) PTGESPTGS2
SCHEMBL1178872 0.78 PTGES (0.62) PTGESPTGS2

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed