SCHEMBL7007130

SCHEMBL7007130

CC(C)(CC=O)CCCCCCCC(C)(C)CC(O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL5705330 1.00 FFAR1 (0.36) FFAR1CPT2TDP1ACACBACACA
SCHEMBL5705308 1.00 FFAR1 (0.36) FFAR1CPT2TDP1ACACBACACA
SCHEMBL7007273 0.89 FFAR1 (0.33) FFAR1CPT2TDP1
SCHEMBL5705287 0.87 FFAR1 (0.33) FFAR1CPT2TDP1
SCHEMBL7025020 0.87 FFAR1 (0.33) FFAR1CPT2TDP1
SCHEMBL3372731 0.76 TDP1 (0.33) FFAR1CPT2TDP1
SCHEMBL10255580 0.76 ACACB (0.41) FFAR1CPT2TDP1ACACBACACA
SCHEMBL9520083 0.75 TSHR (0.46) FFAR1CPT2TDP1
SCHEMBL16526737 0.75 TSHR (0.46) FFAR1CPT2TDP1
SCHEMBL1783923 0.75 TSHR (0.46) 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 3 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
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed