SCHEMBL7606152

SCHEMBL7606152

CC(C)C1=NN(Cc2ccc(C(C(=O)Nc3cccc4c3CC(C(=O)O)C4)C3CCCC3)cc2)C(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.40
PTGES O14684 8/20 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
SCHEMBL7604027 0.89 PTGS2 (0.38) PTGS2PTGES
SCHEMBL7606107 0.88 KMT2A (0.44) PTGS2PTGES
SCHEMBL1178147 0.87 PTGS2 (0.39) PTGS2PTGES
SCHEMBL1178375 0.84 PTGS2 (0.42) PTGS2PTGES
SCHEMBL1083289 0.83 PTGS2 (0.38) PTGS2PTGES
SCHEMBL7605922 0.83 KMT2A (0.42) PTGS2PTGES
SCHEMBL12872156 0.82 PTGES (0.39) PTGS2PTGES
SCHEMBL1177915 0.81 PTGES (0.40) PTGS2PTGES
SCHEMBL1178784 0.80 PTGS2 (0.40) PTGS2PTGES
SCHEMBL1178098 0.80 PTGS2 (0.37) PTGS2PTGES

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