SCHEMBL6259336

SCHEMBL6259336

CCC(C)(C)CCCCOCCCOCCCCC(C)(C)CCO

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37

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
SCHEMBL6899166 0.94 TSHR (0.40) MEN1THRBHTTKMT2AMAPT
SCHEMBL6261546 0.92 MEN1 (0.40) MEN1THRBHTTKMT2AMAPT
SCHEMBL6258683 0.90 TSHR (0.40) MEN1THRBHTTKMT2AMAPT
SCHEMBL3037397 0.90 MEN1 (0.41) MEN1THRBHTTKMT2AMAPT
SCHEMBL6255394 0.86 TSHR (0.41) MEN1THRBHTTKMT2AMAPT
SCHEMBL9750723 0.85 MEN1 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL9750836 0.83 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL6255557 0.81 TSHR (0.41) MEN1THRBHTTKMT2AMAPT
SCHEMBL9750894 0.79 TSHR (0.35) MEN1THRBHTTKMT2AMAPT
SCHEMBL31544460 0.78 MEN1 (0.41) MEN1THRBHTTKMT2AMAPT

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
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO claimed
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed