SCHEMBL12138698

SCHEMBL12138698

CCC(C)(C)CCCCC(O)CCCCC1(CC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GPR84 Q9NQS5 4/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.31

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
SCHEMBL12138705 0.99 ACACB (0.44) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL5902817 0.89 FFAR1 (0.47) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL1152115 0.88 FFAR1 (0.50) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL5902930 0.88 ACACB (0.41) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL5902992 0.87 ACACB (0.43) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL14150077 0.86 ACACB (0.47) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL2737107 0.86 ACACB (0.39) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL1151589 0.85 ACACB (0.41) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL1146226 0.84 FFAR4 (0.39) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL2737156 0.83 FFAR4 (0.41) ACACBACACAFFAR1FFAR4GPR84

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
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 US disclosed