SCHEMBL6514133

SCHEMBL6514133

CC(C)CCCSCCCSCCCC(C)(C)OP(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 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
SCHEMBL6356292 0.89 SMPD1 (0.38) SMPD1
SCHEMBL12953253 0.87 SMPD1 (0.39) SMPD1
SCHEMBL6695749 0.87 BHMT (0.31)
SCHEMBL6354681 0.82 SMPD1 (0.42) SMPD1
SCHEMBL6518662 0.82 SMPD1 (0.38) SMPD1
SCHEMBL6345204 0.80 SMPD1 (0.44) SMPD1
SCHEMBL6344061 0.76 GRM4 (0.34) SMPD1
SCHEMBL6346076 0.75 SMPD1 (0.36) SMPD1
SCHEMBL6354715 0.74 GRM4 (0.35) SMPD1
SCHEMBL6898367 0.74 SMPD1 (0.30) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005068418-A1 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed