SCHEMBL1756451

SCHEMBL1756451

CN(CC(=O)O)C(=O)c1cccc(COc2ccc(-c3ccc(F)c(F)c3)c(F)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 11/20 0.69
MRGPRX4 Q96LA9 2/20 0.50
KMT2A Q03164 1/20 0.48
FFAR1 O14842 6/20 0.45
PPARD Q03181 2/20 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
SCHEMBL1756390 0.87 GYS1 (0.82) GYS1MRGPRX4KMT2A
SCHEMBL1756379 0.87 GYS1 (0.53) GYS1MRGPRX4KMT2AFFAR1
SCHEMBL1756363 0.85 GYS1 (0.81) GYS1MRGPRX4KMT2AFFAR1PPARD
SCHEMBL1756426 0.83 GYS1 (0.79) GYS1MRGPRX4
SCHEMBL1756400 0.83 GYS1 (0.68) GYS1MRGPRX4FFAR1PPARD
SCHEMBL1756438 0.82 GYS1 (1.00) GYS1
SCHEMBL1542780 0.79 GYS1 (0.74) GYS1MRGPRX4FFAR1PPARD
SCHEMBL2036261 0.79 GYS1 (0.71) GYS1FFAR1PPARD
SCHEMBL1756401 0.74 GYS1 (0.63) GYS1KMT2A
SCHEMBL14933712 0.73 GYS1 (1.00) GYS1KMT2A

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