SCHEMBL1756436

SCHEMBL1756436

CC(=O)ON(C)C(=O)c1cccc(COc2ccc(-c3cc(F)c(F)cc3F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 17/20 0.60
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOB P27338 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL1756462 0.92 GYS1 (0.58) GYS1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1756390 0.84 GYS1 (0.82) GYS1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1756338 0.81 MRGPRX4 (0.62) GYS1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL1756371 0.81 MRGPRX4 (0.65) GYS1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1756401 0.78 GYS1 (0.63) GYS1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1756426 0.76 GYS1 (0.79) GYS1MAOBMRGPRX4
SCHEMBL1756438 0.75 GYS1 (1.00) GYS1
SCHEMBL1756394 0.74 MRGPRX4 (0.69) GYS1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL17505888 0.73 GYS1 (0.69) GYS1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1756340 0.72 MRGPRX4 (0.63) GYS1NPC1LMNARAB9ASMN1; SMN2

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