SCHEMBL13639499

SCHEMBL13639499

CC(C)Cc1cc(OCCc2ccsc2)cc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.55
LNPEP Q9UIQ6 1/20 0.46
PTGES O14684 2/20 0.41
ALOX5 P09917 2/20 0.41
PPARG P37231 2/20 0.40
PLA2G2A P14555 1/20 0.39
MAPK1 P28482 1/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
DAO P14920 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PPARA Q07869 1/20 0.37
LTA4H P09960 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL718782 0.85 GCK (0.72) GCKLNPEPPTGESALOX5PPARG
SCHEMBL12020984 0.74 GCK (0.62) GCKLNPEPPTGESALOX5PPARG
SCHEMBL9072543 0.74 GCK (0.62) GCKLNPEPPTGESALOX5PPARG
SCHEMBL2668261 0.74 MEN1 (0.70) GCKKMT2AMEN1
SCHEMBL2657438 0.74 GCK (0.64) GCKLNPEPPTGESALOX5PPARG
SCHEMBL14018725 0.72 F2 (0.49) GCKLNPEPPTGESALOX5PPARG
SCHEMBL14017936 0.72 GCK (0.59) GCKLNPEPPTGESALOX5PPARG
SCHEMBL9374246 0.72 KMT2A (0.59) KMT2A
SCHEMBL14505791 0.71 GCK (1.00) GCKRARB
SCHEMBL2668266 0.71 KMT2A (0.50) GCKKMT2AMEN1RARB

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-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed