SCHEMBL6269482

SCHEMBL6269482

CCCN(CCCCOc1cccc(CCC(=O)OC)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 7/20 0.44
PFKFB3 Q16875 6/20 0.44
CMA1 P23946 6/20 0.39
CYP2D6 P10635 3/20 0.39
HTR6 P50406 1/20 0.38
KCNH2 Q12809 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL3684828 0.86 PFKFB4 (0.41) PFKFB4PFKFB3CMA1HTR6
SCHEMBL3695390 0.83 PPARD (0.43) PFKFB4PFKFB3CMA1
SCHEMBL3685095 0.80 PPARA (0.49) PFKFB4PFKFB3CMA1HTR6
SCHEMBL6269039 0.79 HTR6 (0.42) PFKFB4PFKFB3CMA1HTR6
SCHEMBL3689304 0.79 PFKFB3 (0.41) PFKFB4PFKFB3CMA1HTR6
SCHEMBL3687431 0.79 PFKFB3 (0.41) PFKFB4PFKFB3CMA1HTR6
SCHEMBL3695828 0.77 CMA1 (0.43) PFKFB4PFKFB3CMA1HTR6
SCHEMBL3679313 0.76 PFKFB3 (0.43) PFKFB4PFKFB3CMA1HTR6
SCHEMBL3683554 0.76 PPARD (0.44) PFKFB4PFKFB3CMA1HTR6
SCHEMBL3681379 0.76 PPARD (0.41) PFKFB4PFKFB3

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
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO disclosed