SCHEMBL6508694

SCHEMBL6508694

CC(CCCC[S+]([O-])CCCCC(C)(c1ccccc1)C1CC(O)(CC(=O)O)CC(=O)O1)(c1ccccc1)C1CC(O)(CC(=O)O)CC(=O)O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.32

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
SCHEMBL7201326 0.93
SCHEMBL7201319 0.92
SCHEMBL6205844 0.87 AKR1B1 (0.36) AKR1B1
SCHEMBL6345890 0.86 AKR1B1 (0.33) AKR1B1
SCHEMBL7201295 0.85
SCHEMBL12094493 0.85 LTB4R (0.38) AKR1B1
SCHEMBL6390161 0.82 AKR1B1 (0.34) AKR1B1
SCHEMBL14269159 0.79 LTB4R (0.34)
SCHEMBL8745050 0.79 AKR1B1 (0.31) AKR1B1
SCHEMBL6694417 0.79

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
WO-2005047236-A1 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-05-26 WO disclosed
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-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed