SCHEMBL6514353

SCHEMBL6514353

CC(C)(CO)CCCN(CCCC(C)(C)CO)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6390130 0.83 AOC3 (0.44)
SCHEMBL6388574 0.82 MEN1 (0.43) TDP1
SCHEMBL6511121 0.80
SCHEMBL6396052 0.79 AOC3 (0.43)
SCHEMBL6396071 0.79 FDPS (0.43)
SCHEMBL6514144 0.76 FFAR1 (0.34) FFAR1CPT2TDP1
SCHEMBL3949250 0.74 FFAR1 (0.38) FFAR1CPT2TDP1
SCHEMBL6515176 0.73
SCHEMBL6464997 0.72 FFAR1 (0.41) FFAR1CPT2TDP1
SCHEMBL11801172 0.72 ALDH1A1 (0.41) FFAR1CPT2TDP1

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-2005068420-A1 UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed