SCHEMBL13508271

SCHEMBL13508271

CCCCc1ccc(S(=O)(=O)N(CCC)C[C@@H](C)Sc2ccc(OCC(=O)O)c(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.42
PPARA Q07869 2/20 0.42
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL3682400 1.00 PPARD (0.42) PPARDPPARAPTPN1ALDH1A1GAA
SCHEMBL13508262 0.95 PPARD (0.42) PPARDPPARAPTPN1ALDH1A1GAA
SCHEMBL3683369 0.95 PPARD (0.42) PPARDPPARAPTPN1ALDH1A1GAA
SCHEMBL13508354 0.89 PTPN1 (0.45) PPARDPPARAPTPN1GAAPPARG
SCHEMBL3691327 0.89 PPARD (0.47) PPARDPPARAPTPN1PPARG
SCHEMBL13508270 0.89 PPARD (0.47) PPARDPPARAPTPN1PPARG
SCHEMBL3691425 0.88 PTGDR2 (0.41) PPARDPPARAPTPN1PPARG
SCHEMBL13508267 0.88 PTGDR2 (0.41) PPARDPPARAPTPN1PPARG
SCHEMBL13508254 0.86 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL3691720 0.86 PPARD (0.53) PPARDPPARAPPARG

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 3 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
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed