SCHEMBL6198099

SCHEMBL6198099

CC(C)(CCCO)CCCCC(O)CCCCC(C)(C)CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.50
ACACA Q13085 1/20 0.50
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
PTPN1 P18031 1/20 0.43
TBXAS1 P24557 2/20 0.41
CPT2 P23786 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR84 Q9NQS5 5/20 0.39
CAMK2A Q9UQM7 1/20 0.38
FAAH O00519 1/20 0.36

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
SCHEMBL19678182 0.98 ACACB (0.53) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL6180003 0.91 ACACB (0.59) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL6695817 0.86 GPR84 (0.54) FFAR1FFAR4PTPN1TBXAS1CPT2
SCHEMBL6696708 0.86 GPR84 (0.54) FFAR1FFAR4PTPN1TBXAS1CPT2
SCHEMBL939882 0.85 ACACB (0.72) ACACBACACAFFAR1FFAR4TBXAS1
SCHEMBL5902926 0.85 ACACB (0.40) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL19678184 0.84 ACACB (0.52) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL5902654 0.84 ACACB (0.42) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL5902989 0.82 ACACB (0.40) ACACBACACAFFAR1FFAR4PTPN1
SCHEMBL5902913 0.81 ACACB (0.42) ACACBACACAFFAR1FFAR4PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 WO disclosed