SCHEMBL5705447

SCHEMBL5705447

CC(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SPTLC1 O15269 1/20 0.31
SPTLC2 O15270 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL5705561 0.98 ACACB (0.32) MAPTKMT2AACACBACACA
SCHEMBL5705482 0.90 PTGS1 (0.30)
SCHEMBL15457430 0.85 KMT2A (0.44) MAPTKMT2AACACBACACAFFAR1
SCHEMBL15457429 0.83 MAPT (0.41) MAPTKMT2AACACBACACAFFAR1
SCHEMBL5705314 0.82
SCHEMBL26136572 0.81 MAPT (0.37) MAPTKMT2AACACBACACAFFAR1
SCHEMBL5705484 0.81 ACACB (0.31) MAPTKMT2AACACBACACASPTLC1
SCHEMBL5705296 0.81 KMT2A (0.38) MAPTKMT2AFFAR1CPT2TDP1
SCHEMBL5705318 0.79 ACACB (0.32) MAPTKMT2AACACBACACASPTLC1
SCHEMBL5705420 0.79 ACACB (0.32) MAPTKMT2AACACBACACASPTLC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326822-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-07-16 EP claimed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO claimed
WO-2002030860-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
EP-1701931-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2006-09-20 EP disclosed
WO-2005068412-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed