SCHEMBL2012937

SCHEMBL2012937

COc1c(-c2ccccc2)cc(F)c(F)c1OCc1cccc(CBr)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.45
GAA P10253 4/20 0.45
SI P14410 4/20 0.45
MGAM2 Q2M2H8 4/20 0.45
GYS1 P13807 9/20 0.42
MRGPRX4 Q96LA9 1/20 0.36
MAOB P27338 2/20 0.36
BCHE P06276 1/20 0.36
FFAR1 O14842 3/20 0.35
PPARD Q03181 2/20 0.35

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
SCHEMBL2012745 0.89 GYS1 (0.39) GYS1MRGPRX4MAOBFFAR1
SCHEMBL2013211 0.87 GYS1 (0.38) GYS1MRGPRX4MAOBFFAR1PPARD
SCHEMBL18495757 0.73 MGAM (0.39) MGAMGAASIMGAM2MAOB
SCHEMBL2010257 0.72 GYS1 (0.68) GYS1
SCHEMBL29098923 0.71 PDE4B (0.47)
SCHEMBL29546745 0.71 PDE4B (0.47)
SCHEMBL19488935 0.71 PDE4B (0.47) MGAMGAASIMGAM2
SCHEMBL2012939 0.71 GYS1 (0.48) GYS1MRGPRX4MAOB
SCHEMBL31053413 0.70 ALOX5AP (0.38) FFAR1
SCHEMBL2012370 0.69 GYS1 (0.52) GYS1MAOB

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