SCHEMBL2011781

SCHEMBL2011781

COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(CN(CC(=O)O)C(=O)C(C)(C)C)c2)cc1.COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(CN(CC(=O)O)S(C)(=O)=O)c2)cc1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GYS1 P13807 18/20 0.86
▸ FFAR1 O14842 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
SCHEMBL2009539 0.93 GYS1 (0.85) GYS1FFAR1
SCHEMBL2011201 0.93 GYS1 (1.00) GYS1FFAR1
SCHEMBL2010569 0.92 GYS1 (0.85) GYS1FFAR1
SCHEMBL2014593 0.84 GYS1 (1.00) GYS1FFAR1
SCHEMBL2010280 0.83 GYS1 (0.84) GYS1FFAR1
SCHEMBL2037268 0.83 GYS1 (0.81) GYS1FFAR1
SCHEMBL2015319 0.83 GYS1 (0.81) GYS1FFAR1
SCHEMBL2010799 0.83 GYS1 (1.00) GYS1
SCHEMBL2010369 0.82 GYS1 (0.82) GYS1
SCHEMBL2009942 0.82 GYS1 (1.00) GYS1FFAR1

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-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 — — WO disclosed
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