SCHEMBL1756429

SCHEMBL1756429

COc1cc(F)c(F)cc1-c1ccc(OCc2nc(C(=O)NC(C(=O)O)C(C)(C)C)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
GYS1 P13807 15/20 0.45
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
HSP90AA1 P07900 1/20 0.41
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL1756392 0.84 POLB (0.52) MAPK1GYS1POLBL3MBTL1NPC1
SCHEMBL17414635 0.81 POLB (0.51) MAPK1GYS1POLBL3MBTL1NPC1
SCHEMBL1756435 0.80 GYS1 (0.45) MAPK1GYS1POLBL3MBTL1NPC1
SCHEMBL1756433 0.79 GYS1 (0.53) MAPK1GYS1POLBL3MBTL1NPC1
SCHEMBL1756448 0.79 MAPT (0.69) MAPK1GYS1POLBL3MBTL1NPC1
SCHEMBL2011581 0.75 POLB (0.55) MAPK1GYS1POLBL3MBTL1MAPT
SCHEMBL2009245 0.72 POLB (0.54) GYS1POLBL3MBTL1MAPT
SCHEMBL17414642 0.70 POLB (0.48) MAPK1GYS1POLBL3MBTL1NPC1
SCHEMBL2011674 0.69 MAPT (0.67) MAPK1POLBL3MBTL1NPC1MAPT
SCHEMBL17414636 0.68 MAPT (0.48) MAPK1GYS1POLBL3MBTL1NPC1

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-2011058154-A1 BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed