SCHEMBL13508325

SCHEMBL13508325

CCCN(CCOc1ccc(C[C@@H](OC)C(=O)OCC)cc1)S(=O)(=O)c1sc2ccc(F)cc2c1C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.37
PPARA Q07869 15/20 0.37
PPARG P37231 12/20 0.36
PPARD Q03181 5/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL3693308 1.00 CMA1 (0.37) CMA1PPARAPPARGPPARDPTGES
SCHEMBL13508324 0.93 PPARG (0.43) CMA1PPARAPPARGPPARDPTGES
SCHEMBL3687326 0.93 PPARG (0.43) CMA1PPARAPPARGPPARDPTGES
SCHEMBL13509514 0.88 CMA1 (0.40) CMA1PPARAPPARGPPARDPTGES
SCHEMBL3686749 0.77 PPARG (0.43) CMA1PPARAPPARGPPARD
SCHEMBL3686996 0.76 CMA1 (0.37) CMA1PPARAPPARGPPARD
SCHEMBL13508598 0.74 CMA1 (0.43) CMA1
SCHEMBL3684613 0.74 PPARG (0.34) CMA1PPARAPPARGPPARD
SCHEMBL13509513 0.74 CMA1 (0.36) CMA1
SCHEMBL3689003 0.73 CMA1 (0.42) CMA1

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