SCHEMBL10264689

SCHEMBL10264689

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.62
ACACA Q13085 1/20 0.62
ACLY P53396 1/20 0.39
RIPK1 Q13546 2/20 0.38
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
PPARA Q07869 1/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
FFAR1 O14842 1/20 0.31
TBXAS1 P24557 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL6196497 0.93 ACACB (0.69) ACACBACACAACLYPPARATSHR
SCHEMBL2736899 0.87 ACACB (0.74) ACACBACACAACLYPPARATSHR
SCHEMBL2737115 0.85 ACACB (0.78) ACACBACACAACLYPPARATSHR
SCHEMBL27655160 0.85 ACACB (0.60) ACACBACACAACLYFFAR4FFAR1
SCHEMBL7048284 0.83 ACACB (0.57) ACACBACACAACLYPPARATSHR
SCHEMBL12094483 0.82 ACACB (0.88) ACACBACACAACLYPPARATSHR
SCHEMBL3748635 0.82 ACACB (0.88) ACACBACACAACLYPPARATSHR
SCHEMBL8896856 0.81 RIPK1 (0.44) ACACBACACARIPK1TSHRALDH1A1
SCHEMBL25936778 0.80 ACACB (0.89) ACACBACACAACLYFFAR4FFAR1
SCHEMBL3751463 0.80 ACACB (0.84) ACACBACACAACLYPPARATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404890-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-11 EP disclosed