SCHEMBL4764331

SCHEMBL4764331

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.54
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.45
HMGCR P04035 2/20 0.44
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41
HIF1A Q16665 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.41
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1083078 0.88 GAA (0.56) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL10786630 0.88 GAA (0.56) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL11323599 0.88 GAA (0.50) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL8399002 0.87 GAA (0.55) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL18010261 0.87 GAA (0.49) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL4453162 0.86 GAA (0.54) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL21439853 0.86 GAA (0.54) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL17266983 0.84 GAA (0.52) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL5086071 0.84 GAA (0.52) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL27963183 0.84 GAA (0.52) GAAKMT2AMEN1HMGCRALDH1A1

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
JP-2008285612-A HOT MELT RESIN COMPOSITION AICA KOGYO CO LTD 2008-11-27 JP disclosed