SCHEMBL13508409

SCHEMBL13508409

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.38
PPARA Q07869 3/20 0.37
PFKFB3 Q16875 3/20 0.36
PFKFB4 Q16877 3/20 0.36
SLC2A1 P11166 1/20 0.36
CMA1 P23946 1/20 0.35
AKR1B1 P15121 1/20 0.35
PTGDR Q13258 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
SCHEMBL13508288 1.00 PPARD (0.40) PPARDPTGDR2PPARAPFKFB3PFKFB4
SCHEMBL3679124 1.00 PPARD (0.40) PPARDPTGDR2PPARAPFKFB3PFKFB4
SCHEMBL3685641 0.93 PFKFB3 (0.37) PFKFB3PFKFB4SLC2A1CMA1
SCHEMBL13508293 0.93 PFKFB3 (0.37) PFKFB3PFKFB4SLC2A1CMA1
SCHEMBL3686009 0.92 PPARD (0.41) PPARDPTGDR2PPARAPFKFB3PFKFB4
SCHEMBL3683627 0.92 PPARD (0.41) PPARDPTGDR2PPARAPFKFB3PFKFB4
SCHEMBL3682368 0.92 PPARD (0.41) PPARDPTGDR2PPARAPFKFB3PFKFB4
SCHEMBL3686408 0.91 PPARD (0.41) PPARDPPARACMA1
SCHEMBL13508361 0.90 PPARD (0.39) PPARDPPARA
SCHEMBL3692915 0.87 PPARD (0.45) PPARDPTGDR2PPARAPFKFB3PFKFB4

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