SCHEMBL6720403

SCHEMBL6720403

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

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 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
SCHEMBL6711493 0.78 ALDH1A1 (0.35) CA2
SCHEMBL7207381 0.78 ELANE (0.32)
SCHEMBL7215625 0.71
SCHEMBL6703714 0.62 TSHR (0.32)
SCHEMBL6506594 0.60 S1PR2 (0.36)
SCHEMBL6505233 0.59 ALDH1A1 (0.47)
SCHEMBL2994446 0.57 GAA (0.41) CA2
SCHEMBL2737003 0.57 RIPK1 (0.59)
SCHEMBL12493702 0.56 CA2 (0.44) CA2
SCHEMBL12496136 0.56 CA2 (0.39) CA2

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
JP-2004531459-A 2004-10-14 JP claimed
EP-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP claimed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed