SCHEMBL6180349

SCHEMBL6180349

CC(C)(O)C(C)(C)CCCC(O)CCCC(O)CCCCCO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
PTPN1 P18031 1/20 0.33
PSMD14 O00487 2/20 0.32
PLA2G1B P04054 2/20 0.32
MMP2 P08253 2/20 0.32
ATG4B Q9Y4P1 2/20 0.32
HSP90AA1 P07900 1/20 0.32
RAD52 P43351 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4528725 0.98 ACACB (0.44) ACACBACACAPTPN1PSMD14PLA2G1B
SCHEMBL6198957 0.90 ACACB (0.40) ACACBACACAPTPN1
SCHEMBL16074757 0.81 CYP4F2 (0.41) FFAR1LMNAALDH1A1HSD17B10
SCHEMBL21986972 0.81 CYP4F2 (0.41) FFAR1LMNAALDH1A1HSD17B10
SCHEMBL22558017 0.81 CYP4F2 (0.41) FFAR1LMNAALDH1A1HSD17B10
SCHEMBL28374111 0.81 CYP4F2 (0.41) FFAR1LMNAALDH1A1HSD17B10
SCHEMBL28368582 0.81 CYP4F2 (0.41) FFAR1LMNAALDH1A1HSD17B10
SCHEMBL27886724 0.81 SMN1; SMN2 (0.38) LMNAALDH1A1HSD17B10
SCHEMBL16074952 0.80 ACACB (0.46) ACACBACACAPTPN1PSMD14PLA2G1B
SCHEMBL16074886 0.80 ACACB (0.46) ACACBACACAPTPN1PSMD14PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 WO disclosed