SCHEMBL1759586

SCHEMBL1759586

COc1cc(F)c(F)cc1-c1ccc(OCc2ccc3c(C(=O)OC(C)(C)C)c[nH]c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 19/20 0.49
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43

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
SCHEMBL1760494 0.82 GYS1 (0.49) GYS1
SCHEMBL1759696 0.81 GYS1 (0.55) GYS1
SCHEMBL1759705 0.80 GYS1 (0.56) GYS1
SCHEMBL1760262 0.78 GYS1 (0.52) GYS1
SCHEMBL1759563 0.78 GYS1 (0.49) GYS1
SCHEMBL1759556 0.77 GYS1 (0.47) GYS1
SCHEMBL1760236 0.74 NR4A2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1760240 0.73 GYS1 (0.51) GYS1
SCHEMBL6649505 0.73 NR4A2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4780483 0.73 MAPT (0.63)

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-2011057959-A1 INDOLE AND INDAZOLE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed