SCHEMBL5705306

SCHEMBL5705306

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL5705326 0.98 FFAR1 (0.34) FFAR1CPT2TDP1MAPTKMT2A
SCHEMBL7007128 0.93 FFAR1 (0.31) FFAR1CPT2TDP1MAPTKMT2A
SCHEMBL7007268 0.91 FFAR1 (0.31) FFAR1CPT2TDP1
SCHEMBL5705283 0.88
SCHEMBL7025017 0.84
SCHEMBL25479027 0.82 TDP1 (0.42) FFAR1CPT2TDP1MAPTKMT2A
SCHEMBL8897286 0.82 KMT2A (0.50) FFAR1CPT2TDP1MAPTKMT2A
SCHEMBL8897919 0.82 KMT2A (0.45) FFAR1CPT2TDP1MAPTKMT2A
SCHEMBL7007273 0.81 FFAR1 (0.33) FFAR1CPT2TDP1
SCHEMBL12909424 0.80 FFAR1 (0.41) FFAR1CPT2TDP1MAPTKMT2A

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-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-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed