SCHEMBL7202384

SCHEMBL7202384

CC(C)(CC[S+]([O-])c1ccc([S+]([O-])CCC(C)(C)C(=O)Oc2ccccc2)cc1)C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.44
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
PPARA Q07869 1/20 0.37
PRTN3 P24158 3/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6509256 0.85 ELANE (0.47) ELANEL3MBTL1ATMPPARAPRTN3
SCHEMBL6508374 0.83 ELANE (0.44) ELANEL3MBTL1ATMPPARAMAPT
SCHEMBL6502073 0.81 ALDH1A1 (0.44) L3MBTL1TDP1
SCHEMBL6506686 0.81 ELANE (0.43) ELANEL3MBTL1ATMPPARAPRTN3
SCHEMBL6533760 0.80 KCNN4 (0.33) ELANE
SCHEMBL6508516 0.78 PPARA (0.37) PPARATDP1
SCHEMBL6257018 0.77 ELANE (0.71) ELANEL3MBTL1ATMPPARAMAPT
SCHEMBL9468346 0.75 ELANE (0.51) ELANEL3MBTL1ATMPPARAALOX15
SCHEMBL28229998 0.75 ELANE (0.51) ELANEL3MBTL1ATMPPARAMAPT
SCHEMBL28259320 0.75 ELANE (0.51) ELANEL3MBTL1ATMPPARAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP disclosed
WO-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed