SCHEMBL15417564

SCHEMBL15417564

CC(=O)C1(CCCCCC(O)CCCCCC2(C(C)=O)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
FFAR1 O14842 1/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
GPR84 Q9NQS5 5/20 0.37
NFKB1 P19838 1/20 0.34
PTPN1 P18031 1/20 0.33
EPHX2 P34913 1/20 0.33
FAAH O00519 2/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1106807 0.98 FFAR4 (0.36) FFAR4ACACBACACAFFAR1CYP4F2
SCHEMBL1106809 0.93 FFAR4 (0.39) FFAR4ACACBACACAFFAR1CYP4F2
SCHEMBL1106810 0.91 FFAR4 (0.36) FFAR4ACACBACACAFFAR1CYP4F2
SCHEMBL798303 0.85 CYP4F2 (0.47) CYP4F2CYP4A11
SCHEMBL10091370 0.85 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL13818712 0.85 ACACB (0.67) FFAR4ACACBACACAFFAR1CYP4F2
SCHEMBL1106814 0.83 TRPA1 (0.35) FFAR4ACACBACACAFFAR1ALDH1A1
SCHEMBL186576 0.82 FFAR4 (0.40) FFAR4ACACBACACAFFAR1CYP4F2
SCHEMBL18633532 0.81 FFAR4 (0.39) FFAR4ACACBACACAFFAR1CYP4F2
SCHEMBL1106784 0.81 LMNA (0.33) ALDH1A1MAPT

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-8623915-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-01-07 US disclosed