SCHEMBL3701282

SCHEMBL3701282

Cc1c(CC(C(=O)O)C(C)(C)C)cccc1NC(=O)C(c1ccc(Cn2nnc3ccccc3c2=O)cc1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.48
PTGES O14684 7/20 0.47

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
SCHEMBL3699293 0.89 PTGS2 (0.50) PTGS2PTGES
SCHEMBL3694824 0.88 PTGS2 (0.49) PTGS2PTGES
SCHEMBL1178023 0.87 PTGES (0.60) PTGS2PTGES
SCHEMBL3701755 0.86 LMNA (0.42) PTGES
SCHEMBL3700405 0.85 PTGS2 (0.49) PTGS2PTGES
SCHEMBL1177884 0.85 PTGES (0.49) PTGS2PTGES
SCHEMBL3698762 0.83 PTGS2 (0.54) PTGS2PTGES
SCHEMBL3700472 0.83 PTGS2 (0.47) PTGS2PTGES
SCHEMBL3693006 0.83 PTGS2 (0.53) PTGS2PTGES
SCHEMBL1178620 0.82 PTGS2 (0.50) 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