SCHEMBL3683997

SCHEMBL3683997

CCCN(CC(CC)Sc1ccc(OCC(=O)OCC)c(C)c1)S(=O)(=O)c1sc2ccc(F)cc2c1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
PPARD Q03181 9/20 0.33
F9 P00740 1/20 0.33
PPARA Q07869 3/20 0.32
CMA1 P23946 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HK1 P19367 1/20 0.31
HKDC1 Q2TB90 1/20 0.31

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
SCHEMBL3686408 0.93 PPARD (0.41) PPARDPPARACMA1
SCHEMBL13508293 0.91 PFKFB3 (0.37) ESR1CMA1SMN1; SMN2ALDH1A1
SCHEMBL3685641 0.91 PFKFB3 (0.37) ESR1CMA1SMN1; SMN2ALDH1A1
SCHEMBL13508363 0.90 F9 (0.36) ESR1PPARDF9PPARAALDH1A1
SCHEMBL3694979 0.84 PPARD (0.41) PPARDPPARACMA1
SCHEMBL3679124 0.84 PPARD (0.40) PPARDPPARACMA1
SCHEMBL13508409 0.84 PPARD (0.40) PPARDPPARACMA1
SCHEMBL13508288 0.84 PPARD (0.40) PPARDPPARACMA1
SCHEMBL3684587 0.83 PFKFB3 (0.38) ESR1CMA1SMN1; SMN2ALDH1A1
SCHEMBL3688989 0.83 PFKFB3 (0.38) ESR1CMA1SMN1; SMN2ALDH1A1

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