SCHEMBL12138705

SCHEMBL12138705

CCC(C)(C)CCCCCC(O)CCCCCC1(CC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR84 Q9NQS5 5/20 0.36
FAAH O00519 1/20 0.33
TBXA2R P21731 1/20 0.31
PTGFR P43088 1/20 0.31
PTGER2 P43116 1/20 0.31
EPHX2 P34913 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
SCHEMBL12138698 0.99 ACACB (0.42) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL1152115 0.90 FFAR1 (0.50) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL5902992 0.88 ACACB (0.43) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL5902817 0.88 FFAR1 (0.47) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL14150077 0.88 ACACB (0.47) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL5902930 0.87 ACACB (0.41) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL1151589 0.86 ACACB (0.41) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL2737107 0.85 ACACB (0.39) ACACBACACAFFAR1FFAR4CPT2
SCHEMBL1146781 0.84 FFAR4 (0.42) ACACBACACAFFAR1FFAR4GPR84
SCHEMBL2737155 0.83 FFAR4 (0.44) 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