SCHEMBL2472789

SCHEMBL2472789

CCCCCc1ccc(CNC(=O)c2ccc(Cc3cc(C(F)(F)F)ccc3C(=O)NCc3ccc(O)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.54
KAT8 Q9H7Z6 2/20 0.48
NR1H4 Q96RI1 3/20 0.46
EPHX2 P34913 2/20 0.46
SORT1 Q99523 1/20 0.45
PPARA Q07869 5/20 0.44
PPARG P37231 3/20 0.44
PLK3 Q9H4B4 1/20 0.43
PPARD Q03181 2/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL2466243 0.82 PLK1 (0.53) PLK1KAT8EPHX2PPARAPPARG
SCHEMBL2470089 0.78 STAT3 (0.67) PLK1KAT8
SCHEMBL6032191 0.78 PLK1 (0.50) PLK1KAT8NR1H4EPHX2PPARA
SCHEMBL2470498 0.75 STAT3 (0.57) PLK1NR1H4EPHX2PPARAPPARG
SCHEMBL2468230 0.73 KAT8 (0.52) PLK1KAT8PLK3TRPV1
SCHEMBL2468737 0.71 PLK1 (0.50) PLK1KAT8
SCHEMBL2468215 0.71 KAT8 (0.47) PLK1KAT8TRPV1
SCHEMBL6032331 0.71 KAT8 (0.48) PLK1KAT8PLK3TRPV1
SCHEMBL6032327 0.71 KAT8 (0.48) PLK1KAT8PLK3TRPV1
SCHEMBL26671009 0.70 PLK1 (1.00) PLK1PLK3

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-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP claimed