SCHEMBL28111778

SCHEMBL28111778

CS(=O)(=O)n1c(-c2ccccc2)cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
PPARA Q07869 5/20 0.46
ACLY P53396 10/20 0.44
NR1I2 O75469 1/20 0.41
PPARD Q03181 4/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GLO1 Q04760 1/20 0.39
PTGS2 P35354 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
SCHEMBL28525103 0.83 PPARG (0.51) PPARGPPARAACLYPPARD
SCHEMBL29597969 0.83 PPARG (0.51) PPARGPPARAACLYPPARD
SCHEMBL28111780 0.80 ACLY (0.56) PPARGPPARAACLYHRH3
SCHEMBL28111302 0.79 KMT2A (0.56) ACLYHRH3PTGS2
SCHEMBL11689057 0.79 KMT2A (0.60) NR1I2GLO1
SCHEMBL11686466 0.78 GRIK1 (0.60) PPARGPPARANR1I2GLO1
SCHEMBL11686661 0.73 CACNA1B (0.53) PPARGPPARANR1I2GLO1
SCHEMBL27824802 0.72 PPARG (0.43) PPARGPPARAACLYNR1I2PPARD
SCHEMBL32670738 0.70 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4065720 0.69 HRH3 (0.53) ACLYHRH3PTGS2

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
CN-106179294-A A kind of method that hydrotalcite catalyst economic benefits and social benefits catalyze and synthesize benzazolyl compounds 山东师范大学 2016-12-07 CN disclosed