SCHEMBL186052

SCHEMBL186052

CC(C)(CCCCCCC(O)CCCCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 1.00
ACACA Q13085 1/20 1.00
ACLY P53396 1/20 0.57
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TBXAS1 P24557 2/20 0.42
GPR84 Q9NQS5 5/20 0.42
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 2/20 0.38

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
Bempedoic Acid SCHEMBL185768 1.00 ACACB (1.00) ACACBACACAACLYFFAR1FFAR4
SCHEMBL23348922 1.00 ACACB (1.00) ACACBACACAACLYFFAR1FFAR4
SCHEMBL186486 0.98 ACACB (0.96) ACACBACACAACLYFFAR1FFAR4
SCHEMBL205270 0.98 ACACB (0.96) ACACBACACAACLYFFAR1FFAR4
SCHEMBL25936778 0.94 ACACB (0.89) ACACBACACAACLYFFAR1FFAR4
SCHEMBL12094483 0.94 ACACB (0.88) ACACBACACAACLYFFAR1FFAR4
SCHEMBL3748635 0.94 ACACB (0.88) ACACBACACAACLYFFAR1FFAR4
SCHEMBL2737120 0.93 ACACB (0.86) ACACBACACAACLYFFAR1FFAR4
SCHEMBL186401 0.93 ACACB (0.86) ACACBACACAACLYFFAR1FFAR4
SCHEMBL12092725 0.93 ACACB (0.86) ACACBACACAACLYFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597223-B1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2017-02-22 EP claimed
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP claimed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 WO claimed
EP-2404890-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-11 EP disclosed
EP-2402300-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-04 EP disclosed