SCHEMBL5705343

SCHEMBL5705343

CCCC(C)(C)CCCCC(=O)CCCCC(C)(C)CCC(O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 2/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
HAO1 Q9UJM8 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
SCHEMBL5705265 0.98 MAPT (0.39) ALDH1A1MAPTKMT2AFFAR1CPT2
SCHEMBL5705429 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31054509 0.81 TSHR (0.32)
SCHEMBL5705296 0.80 KMT2A (0.38) ALDH1A1MAPTKMT2AFFAR1CPT2
SCHEMBL7002956 0.80 FFAR1 (0.33) FFAR1CPT2TDP1ACACBACACA
SCHEMBL8899335 0.76 KMT2A (0.47) ALDH1A1MAPTKMT2AFFAR1CPT2
SCHEMBL18670992 0.74 KMT2A (0.55) ALDH1A1MAPTKMT2AFFAR1TDP1
SCHEMBL5705326 0.74 FFAR1 (0.34) ALDH1A1MAPTKMT2AFFAR1CPT2
SCHEMBL8895484 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AFFAR1CPT2TDP1
SCHEMBL8899241 0.74 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AFFAR1CPT2

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 7 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-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