SCHEMBL7601064

SCHEMBL7601064

CCC(C)C(C(=O)Nc1cccc(CCC(=O)O)c1C)c1ccc(CN2N=C(c3ccccc3)CCC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 12/20 0.59
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 9/20 0.43

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
SCHEMBL7601258 0.94 PTGES (0.52) PTGESSMN1; SMN2MEN1GAAKMT2A
SCHEMBL7602037 0.90 PTGES (0.47) PTGESSMN1; SMN2PTGS2
SCHEMBL1082090 0.87 PTGES (0.58) PTGESPTGS2
SCHEMBL7605706 0.85 PARP1 (0.48) PTGESSMN1; SMN2MEN1GAAKMT2A
SCHEMBL7602771 0.84 SMN1; SMN2 (0.43) PTGESSMN1; SMN2MEN1GAAKMT2A
SCHEMBL1081379 0.81 PTGES (0.51) PTGESPTGS2
SCHEMBL1081838 0.80 PTGES (0.50) PTGESPTGS2
SCHEMBL7602721 0.80 PGR (0.41) PTGESSMN1; SMN2MEN1GAAKMT2A
SCHEMBL7601260 0.80 PGR (0.41) PTGESSMN1; SMN2MEN1GAAKMT2A
SCHEMBL1178752 0.80 PTGES (0.49) 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 2 patents. 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
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed