SCHEMBL5486381

SCHEMBL5486381

CCCC(C)(O)CCOCCCCC(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.34
CES1 P23141 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
ALOX15 P16050 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
SCHEMBL3035015 0.83 ALDH1A1 (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL27618766 0.81 TSHR (0.52) MEN1THRBHTTKMT2AMAPT
SCHEMBL7754207 0.81 ALDH1A1 (0.45) ALDH1A1ALOX15
SCHEMBL6254588 0.81 ALDH1A1 (0.45) MEN1THRBHTTKMT2AMAPT
SCHEMBL2689636 0.79 HTT (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL3044735 0.76 ALDH1A1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL9784800 0.75 TSHR (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL6257984 0.74 ALDH1A1 (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL6257222 0.74 ALDH1A1 (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL20106526 0.74 ALDH1A1 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1849760-A1 Ether compounds, compositions, and uses thereof Esperion Therapeutics Inc. (US) 2007-10-31 EP claimed