SCHEMBL13865486

SCHEMBL13865486

COC(=O)CSc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.48
PPARD Q03181 4/20 0.48
PPARA Q07869 4/20 0.48
HTR6 P50406 13/20 0.46
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4476844 0.91 PPARG (0.53) PPARGPPARDPPARAHTR6
SCHEMBL3035930 0.82 PPARG (0.67) PPARGPPARDPPARAHTR6
SCHEMBL4478083 0.81 PPARG (0.55) PPARGPPARDPPARAHTR6ALDH1A1
SCHEMBL4487054 0.81 PPARG (0.65) PPARGPPARDPPARAHTR6
SCHEMBL4559260 0.77 PPARG (0.54) PPARGPPARDPPARAHTR6
SCHEMBL3035346 0.77 PPARG (0.81) PPARGPPARDPPARAHTR6
SCHEMBL3030224 0.76 PPARG (0.54) PPARGPPARDPPARAHTR6CYP3A4
SCHEMBL3020042 0.75 PPARG (0.57) PPARGPPARDPPARAHTR6
SCHEMBL3019374 0.74 PPARG (0.49) PPARGPPARDPPARAHTR6
SCHEMBL3019379 0.74 PPARG (0.49) PPARGPPARDPPARAHTR6

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
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed
US-7531568-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-05-12 US disclosed