SCHEMBL13508487

SCHEMBL13508487

COCCN(CCOc1ccc(OC(C)(C)C(=O)O)cc1)S(=O)(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.42
PKM P14618 1/20 0.40
PPARA Q07869 9/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARD Q03181 2/20 0.39
PFKFB3 Q16875 1/20 0.37

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
SCHEMBL13508488 0.84 PFKFB3 (0.41) PPARGPPARAPPARDPFKFB3
SCHEMBL13508500 0.83 PPARG (0.44) PPARGPKMPPARAPPARD
SCHEMBL13508430 0.83 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL15110962 0.79 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL13508467 0.77 PPARG (0.50) PPARGPKMPPARAALDH1A1PPARD
SCHEMBL3693027 0.76 PKM (0.38) PKMALDH1A1KDM4EPFKFB3
SCHEMBL13508496 0.74 CYP1A2 (0.48) PPARGPKMPPARAPPARD
SCHEMBL13508556 0.74 PTPN7 (0.44) PPARGPPARAPPARD
SCHEMBL3693301 0.70 ITGB3 (0.39) PPARGPKMALDH1A1PFKFB3
SCHEMBL13508489 0.69 CMA1 (0.41) PPARGPPARAPPARDPFKFB3

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-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed