SCHEMBL13508293

SCHEMBL13508293

CCCN(C[C@@H](CC)Sc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 6/20 0.37
PFKFB4 Q16877 6/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC2A1 P11166 1/20 0.35
ESR1 P03372 2/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CMA1 P23946 4/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR6 P50406 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3685641 1.00 PFKFB3 (0.37) PFKFB3PFKFB4ALDH1A1MAPK1SLC2A1
SCHEMBL13508409 0.93 PPARD (0.40) PFKFB3PFKFB4SLC2A1CMA1
SCHEMBL13508288 0.93 PPARD (0.40) PFKFB3PFKFB4SLC2A1CMA1
SCHEMBL3679124 0.93 PPARD (0.40) PFKFB3PFKFB4SLC2A1CMA1
SCHEMBL3684587 0.92 PFKFB3 (0.38) PFKFB3PFKFB4ALDH1A1MAPK1SLC2A1
SCHEMBL3688989 0.92 PFKFB3 (0.38) PFKFB3PFKFB4ALDH1A1MAPK1SLC2A1
SCHEMBL3683997 0.91 ESR1 (0.35) ALDH1A1ESR1CMA1SMN1; SMN2
SCHEMBL13508363 0.90 F9 (0.36) ALDH1A1MAPK1ESR1MAPT
SCHEMBL13508292 0.88 MAPT (0.39) PFKFB3PFKFB4ALDH1A1SLC2A1CMA1
SCHEMBL3683627 0.84 PPARD (0.41) PFKFB3PFKFB4SLC2A1CMA1

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