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Sugi Predict / Compounds / SCHEMBL3694872

SCHEMBL3694872

SCHEMBL3694872

CC(C)(C)C(Cc1ccc(Cl)c(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 15/20 0.41
▸ PTGES O14684 8/20 0.40

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
SCHEMBL1178482 0.93 PTGS2 (0.40) PTGS2PTGES
SCHEMBL1177252 0.87 PTGS2 (0.50) PTGS2PTGES
SCHEMBL1179092 0.87 PTGES (0.52) PTGS2PTGES
SCHEMBL1179033 0.86 PTGS2 (0.42) PTGS2PTGES
SCHEMBL1178437 0.86 PTGES (0.45) PTGS2PTGES
SCHEMBL1178486 0.80 PTGS2 (0.41) PTGS2PTGES
SCHEMBL517093 0.80 ALOX5 (0.39) —
SCHEMBL1081920 0.80 ALOX5 (0.39) —
SCHEMBL1178534 0.79 PTGES (0.40) PTGS2PTGES
SCHEMBL1079856 0.79 PTGES (0.45) 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