SCHEMBL6468858

SCHEMBL6468858

CCCCC(C)(C)C(=O)OOP(=O)(O)OCCCCC(C)(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR2 Q9HBW0 3/20 0.37
ACLY P53396 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
LTB4R Q15722 5/20 0.34
CYP4F2 P78329 4/20 0.33
CYP4A11 Q02928 4/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
PPARA Q07869 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7087604 0.81 ACLY (0.47) ACLYACACBACACALTB4RCYP4F2
SCHEMBL7090792 0.80 ACLY (0.50) LPAR3LPAR1LPAR2ACLYACACB
SCHEMBL6254517 0.79 ACLY (0.42) ACLYACACBACACALTB4RCYP4F2
Methyl Phosphonate SCHEMBL38663210 0.71 ACLY (0.50) LPAR3LPAR1ACLYACACBACACA
SCHEMBL249872 0.71 ACLY (0.56) ACLYACACBACACATTRCYP1A2
SCHEMBL25317925 0.69 MVD (0.39) ACLYACACBACACALTB4RTTR
SCHEMBL301865 0.69 ACLY (0.59) ACLYACACBACACATSHRPPARG
SCHEMBL22396506 0.69 ACLY (0.54) ACLYACACBACACATTRCYP1A2
SCHEMBL6521284 0.69 ACLY (0.54) ACLYACACBACACATTRCYP1A2
SCHEMBL4540511 0.69 ACLY (0.54) ACLYACACBACACATTRCYP1A2

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-1497247-A2 MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-01-19 EP disclosed
WO-2003087108-A2 MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 WO disclosed