SCHEMBL6512453

SCHEMBL6512453

CCCC(C)(C)C(SCCCSCCCC(C)(C)Cc1cocc(O)c1=O)c1cc(=O)c(O)co1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYR P14679 4/20 0.36

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
SCHEMBL7158752 0.86
SCHEMBL6343362 0.81 TYR (0.46) TYR
SCHEMBL6697478 0.79 TYR (0.30) TYR
SCHEMBL6344628 0.77 TYR (0.46) TYR
SCHEMBL6346708 0.74 TYR (0.30) TYR
SCHEMBL6343892 0.70 TYR (0.54) TYR
SCHEMBL6258441 0.67 DAO (0.40) TYR
SCHEMBL3279862 0.67 TYR (0.39) TYR
SCHEMBL10262590 0.67 TYR (0.40) TYR
SCHEMBL6259762 0.66 DAO (0.40) TYR

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