SCHEMBL15417560

SCHEMBL15417560

CC1(CCCCC(O)CCCCC2(CC(=O)O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.37
GPR84 Q9NQS5 4/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CYP1A2 P05177 2/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.31
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 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
SCHEMBL14704335 0.98 FFAR4 (0.39) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL14150018 0.95 FFAR4 (0.34) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL1146226 0.90 FFAR4 (0.39) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL1146781 0.89 FFAR4 (0.42) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL2737156 0.86 FFAR4 (0.41) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL1146831 0.85 CYP1A2 (0.38) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL2737155 0.84 FFAR4 (0.44) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL10255305 0.84 L3MBTL1 (0.34)
SCHEMBL5902922 0.83 PTPN1 (0.36) FFAR4FFAR1GPR84ACACBACACA
SCHEMBL1146783 0.82 FFAR4 (0.35) FFAR4FFAR1GPR84ACACBACACA

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