SCHEMBL2014673

SCHEMBL2014673

CCN(CC(=O)O)Cc1cccc(COc2ccc(-c3cc(F)c(F)cc3OC)cc2)c1.COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(CN(CC(=O)O)Cc3ccccc3)c2)cc1

nearest known ligand 0.95

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 18/20 0.95
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 1/20 0.44

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
SCHEMBL2030494 0.97 GYS1 (1.00) GYS1L3MBTL1FFAR1
SCHEMBL2013446 0.96 GYS1 (0.88) GYS1FFAR1
SCHEMBL2030852 0.89 GYS1 (0.75) GYS1L3MBTL1FFAR1
SCHEMBL2029254 0.88 GYS1 (0.82) GYS1
SCHEMBL2009942 0.85 GYS1 (1.00) GYS1FFAR1
SCHEMBL2010369 0.85 GYS1 (0.82) GYS1
SCHEMBL2010280 0.84 GYS1 (0.84) GYS1FFAR1
SCHEMBL2014593 0.84 GYS1 (1.00) GYS1FFAR1
SCHEMBL2010799 0.84 GYS1 (1.00) GYS1
SCHEMBL2011400 0.83 GYS1 (0.85) 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 2 patents. 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 claimed
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed