SCHEMBL13660752

SCHEMBL13660752

Cc1c(CCC(=O)CC(C)(C)C)cccc1NC(=O)C(c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.49
PTGS2 P35354 15/20 0.48

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
SCHEMBL1178351 0.91 PTGES (0.59) PTGESPTGS2
SCHEMBL1178135 0.90 PTGS2 (0.48) PTGESPTGS2
SCHEMBL3696077 0.86 PTGS2 (0.48) PTGESPTGS2
SCHEMBL1178352 0.84 PTGES (0.59) PTGESPTGS2
SCHEMBL1178137 0.83 PTGS2 (0.48) PTGESPTGS2
SCHEMBL3695285 0.79 PTGS2 (0.48) PTGESPTGS2
SCHEMBL7605728 0.79 PTGES (0.52) PTGESPTGS2
SCHEMBL7605967 0.78 PTGES (0.65) PTGESPTGS2
SCHEMBL1177929 0.77 PTGS2 (0.52) PTGESPTGS2
SCHEMBL1178026 0.75 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
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed