SCHEMBL17827255

SCHEMBL17827255

CC(C)(C)CCSCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.40
ALOX5 P09917 1/20 0.39
APP P05067 1/20 0.37
VCAM1 P19320 3/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
AGTR1 P30556 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL30165 0.94 GAA (0.52) GAAKMT2AMEN1ALOX5APP
Methane SCHEMBL9820093 0.92 GAA (0.51) GAAKMT2AMEN1ALOX5APP
SCHEMBL7865656 0.90 GAA (0.49) GAAKMT2AMEN1ALOX5APP
SCHEMBL22900767 0.90 GAA (0.44) GAAKMT2AMEN1ALOX5APP
SCHEMBL18473221 0.89 GAA (0.48) GAAKMT2AMEN1ALOX5APP
SCHEMBL9243301 0.89 GAA (0.48) GAAKMT2AMEN1ALOX5APP
SCHEMBL7151481 0.89 GAA (0.48) GAAKMT2AMEN1ALOX5APP
SCHEMBL15958595 0.89 GAA (0.48) GAAKMT2AMEN1ALOX5APP
SCHEMBL22901113 0.89 GAA (0.46) GAAKMT2AMEN1ALOX5APP
SCHEMBL23197811 0.88 GAA (0.47) GAAKMT2AMEN1ALOX5APP

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
WO-2016092005-A1 USE OF ADDITIVES TO REDUCE THE AGEING OF PHASE-CHANGE MATERIALS ARKEMA FRANCE (FR) 2016-06-16 WO disclosed