SCHEMBL2009950

SCHEMBL2009950

Cc1c[nH]c(C(=O)N(CC(=O)O)Cc2cccc(COc3ccc(-c4ccc(F)cc4F)cc3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 11/20 0.53
PPARA Q07869 6/20 0.48
PPARG P37231 4/20 0.43
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 2/20 0.43
MAOB P27338 1/20 0.40
F10 P00742 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL2010322 0.92 GYS1 (0.48) GYS1PPARAPPARGCYP2C9KCNH2
SCHEMBL2012650 0.81 GYS1 (0.53) GYS1PPARAPPARGCYP2C9KCNH2
SCHEMBL2011587 0.81 GYS1 (0.75) GYS1PPARAPPARGCYP2C9KCNH2
SCHEMBL2009949 0.80 GYS1 (0.53) GYS1PPARAMAOBFFAR1
SCHEMBL2012329 0.80 GYS1 (0.52) GYS1PPARA
SCHEMBL2009810 0.78 GYS1 (0.69) GYS1PPARAMAOBF10FFAR1
SCHEMBL2013796 0.77 GYS1 (0.59) GYS1PPARAPPARGCYP2C9KCNH2
SCHEMBL2010695 0.75 GYS1 (0.52) GYS1PPARAPPARGMAOB
SCHEMBL2010321 0.73 GYS1 (0.46) GYS1PPARAMAOBFFAR1
SCHEMBL2010369 0.71 GYS1 (0.82) GYS1

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 2 patents. 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 claimed
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed