SCHEMBL5705265

SCHEMBL5705265

CCCC(C)(C)CCCCCC(=O)CCCCCC(C)(C)CCC(O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 2/20 0.36
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
HAO1 Q9UJM8 1/20 0.33
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31

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
SCHEMBL5705343 0.98 ALDH1A1 (0.37) MAPTKMT2AFFAR1CPT2TDP1
SCHEMBL5705429 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5705296 0.82 KMT2A (0.38) MAPTKMT2AFFAR1CPT2TDP1
SCHEMBL7002956 0.81 FFAR1 (0.33) FFAR1CPT2TDP1ACACBACACA
SCHEMBL31054509 0.80 TSHR (0.32)
SCHEMBL18670992 0.77 KMT2A (0.55) MAPTKMT2AFFAR1TDP1ALDH1A1
SCHEMBL5705306 0.75 FFAR1 (0.37) MAPTKMT2AFFAR1CPT2TDP1
SCHEMBL24443498 0.74 GPR84 (0.58) MAPTKMT2AFFAR1CPT2TDP1
SCHEMBL28477960 0.74 GPR84 (0.58) MAPTKMT2AFFAR1CPT2TDP1
SCHEMBL8899335 0.74 KMT2A (0.47) MAPTKMT2AFFAR1CPT2TDP1

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 8 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
EP-1326822-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-07-16 EP disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
WO-2002030860-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed