SCHEMBL3704772

SCHEMBL3704772

Cc1c(CC(C(=O)O)C(C)(C)C)cccc1NC(=O)C(c1ccc(CN2C(=O)CCc3cc(Cl)ccc32)cc1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.49
PTGES O14684 6/20 0.49

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
SCHEMBL3696589 0.92 PTGS2 (0.47) PTGS2PTGES
SCHEMBL1178434 0.88 PTGES (0.65) PTGS2PTGES
SCHEMBL7601283 0.86 PTGES (0.57) PTGS2PTGES
SCHEMBL1178699 0.85 PTGES (0.53) PTGS2PTGES
SCHEMBL3700233 0.81 PTGES (0.52) PTGS2PTGES
SCHEMBL3695154 0.79 PTGS2 (0.51) PTGS2PTGES
SCHEMBL3695986 0.79 PTGS2 (0.56) PTGS2PTGES
SCHEMBL3693006 0.79 PTGS2 (0.53) PTGS2PTGES
SCHEMBL3707803 0.79 PTGS2 (0.50) PTGS2PTGES
SCHEMBL1178729 0.79 PTGES (0.60) 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