SCHEMBL2013211

SCHEMBL2013211

Cc1c(-c2ccccc2)cc(F)c(F)c1OCc1cccc(CBr)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 7/20 0.38
FFAR1 O14842 4/20 0.37
PPARD Q03181 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MRGPRX4 Q96LA9 5/20 0.36
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34

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 0.92 GYS1 (0.39) GYS1FFAR1MAPTMRGPRX4MAOB
SCHEMBL2012937 0.87 MGAM (0.45) GYS1FFAR1PPARDMRGPRX4MAOB
SCHEMBL2011729 0.72 GYS1 (0.54) GYS1MAOB
SCHEMBL2012370 0.70 GYS1 (0.52) GYS1MAOB
SCHEMBL2013215 0.70 MRGPRX4 (0.46) GYS1FFAR1MAPTMAPK1TDP1
SCHEMBL18495757 0.69 MGAM (0.39) FFAR1MAOB
SCHEMBL12585463 0.68 GSTP1 (0.54) FFAR1PPARDMAPTL3MBTL1MRGPRX4
SCHEMBL2010257 0.68 GYS1 (0.68) GYS1
SCHEMBL2012748 0.68 PTGER1 (0.48) GYS1MAPTMAPK1TDP1L3MBTL1
SCHEMBL2012405 0.68 GYS1 (0.54) 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