SCHEMBL7601206

SCHEMBL7601206

C=C(CCc1cccc(NC(=O)C(c2ccc(Cn3ccc4ccccc4c3=O)cc2)C2CCCC2)c1C)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.48
PTGS2 P35354 14/20 0.46

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
SCHEMBL1177742 0.89 PTGES (0.60) PTGESPTGS2
SCHEMBL1179107 0.88 PTGES (0.48) PTGESPTGS2
SCHEMBL7605999 0.88 PTGS2 (0.48) PTGESPTGS2
SCHEMBL3700472 0.84 PTGS2 (0.47) PTGESPTGS2
SCHEMBL7601942 0.82 PTGES (0.51) PTGESPTGS2
SCHEMBL1177998 0.78 PTGES (0.60) PTGESPTGS2
SCHEMBL1083267 0.78 PTGS2 (0.49) PTGESPTGS2
SCHEMBL1179025 0.77 PTGES (0.60) PTGESPTGS2
SCHEMBL3694826 0.76 PTGS2 (0.49) PTGESPTGS2
SCHEMBL1178403 0.74 PTGES (0.61) 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