SCHEMBL4566309

SCHEMBL4566309

COC(=O)c1cc(C=CC(C)=O)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.43
APP P05067 3/20 0.42
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
IAPP P10997 1/20 0.40
PTGS1 P23219 1/20 0.40
FDPS P14324 1/20 0.39
ALK Q9UM73 2/20 0.37
MET P08581 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 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
SCHEMBL4566308 1.00 BAZ2B (0.46) BAZ2BBAZ2AGAAHTTALDH1A1
SCHEMBL19500071 0.87 TTR (0.47) BAZ2BBAZ2AGAAHTTALDH1A1
SCHEMBL23952005 0.83 BAZ2B (0.49) BAZ2BBAZ2AGAAALDH1A1LMNA
SCHEMBL13658710 0.83 TDP1 (0.50) GAAHTTALDH1A1APPGLA
SCHEMBL12287050 0.83 GLA (0.46) GAAHTTALDH1A1APPGLA
SCHEMBL9197132 0.82 BAZ2B (0.47) BAZ2BBAZ2AGAAALDH1A1LMNA
SCHEMBL1081773 0.81 ALDH1A1 (0.42) BAZ2BBAZ2AGAAHTTALDH1A1
SCHEMBL1006833 0.81 ALDH1A1 (0.42) BAZ2BBAZ2AGAAHTTALDH1A1
SCHEMBL1006832 0.81 ALDH1A1 (0.42) BAZ2BBAZ2AGAAHTTALDH1A1
SCHEMBL1003723 0.80 BAZ2B (0.51) BAZ2BBAZ2AGAAALDH1A1LMNA

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-2009125191-A1 BENZENE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2009-10-15 WO disclosed