SCHEMBL1756435

SCHEMBL1756435

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 15/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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 0.86 POLB (0.52) GYS1POLBL3MBTL1MAPK1NPC1
SCHEMBL17414635 0.83 POLB (0.51) GYS1POLBL3MBTL1MAPK1NPC1
SCHEMBL1756433 0.81 GYS1 (0.53) GYS1POLBL3MBTL1MAPK1NPC1
SCHEMBL1756448 0.81 MAPT (0.69) GYS1POLBL3MBTL1MAPK1NPC1
SCHEMBL1756429 0.80 MAPK1 (0.47) GYS1POLBL3MBTL1MAPK1NPC1
SCHEMBL2011581 0.77 POLB (0.55) GYS1POLBL3MBTL1MAPK1MAPT
SCHEMBL2009245 0.74 POLB (0.54) GYS1POLBL3MBTL1MAPT
SCHEMBL17414642 0.72 POLB (0.48) GYS1POLBL3MBTL1MAPK1NPC1
SCHEMBL2011674 0.71 MAPT (0.67) POLBL3MBTL1MAPK1NPC1MAPT
SCHEMBL17414636 0.69 MAPT (0.48) GYS1POLBL3MBTL1MAPK1NPC1

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