SCHEMBL7601816

SCHEMBL7601816

CC1(C(=O)O)Cc2cccc(NC(=O)C(c3ccc(CN4N=C(c5ccccc5)CCC4=O)cc3)C3CCCC3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
PGR P06401 1/20 0.40
PTGES O14684 9/20 0.40
PTGS2 P35354 11/20 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
SCHEMBL7606070 0.94 KMT2A (0.41) KMT2APGRPTGESPTGS2
SCHEMBL1081286 0.87 PTGES (0.39) PTGESPTGS2
SCHEMBL7604012 0.87 PGR (0.42) KMT2APGR
SCHEMBL7606107 0.85 KMT2A (0.44) KMT2APGRPTGESPTGS2
SCHEMBL7601260 0.85 PGR (0.41) KMT2APGRPTGES
SCHEMBL7605922 0.84 KMT2A (0.42) KMT2APGRPTGESPTGS2
SCHEMBL1080024 0.82 PTGS2 (0.38) PTGESPTGS2
SCHEMBL13660757 0.79 PTGS2 (0.48) KMT2APTGESPTGS2
SCHEMBL1081288 0.78 PTGES (0.38) PTGESPTGS2
SCHEMBL7606117 0.78 KMT2A (0.44) KMT2APGRPTGESPTGS2

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