SCHEMBL9698079

SCHEMBL9698079

CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c(=O)c2c(O)cc(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
MAPK10 P53779 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
PTGES O14684 6/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9698103 0.90 ALOX5 (0.52) ALOX5MAPTKDM4EGAAMEN1
SCHEMBL9697037 0.89 GAA (0.65) ALOX5MAPTKDM4EGAAMEN1
SCHEMBL9697631 0.81 KDM4E (0.50) ALOX5MAPTKDM4EGAAMEN1
SCHEMBL9696910 0.80 ADORA2B (0.49) ALOX5MAPTKDM4EGAAMEN1
SCHEMBL9696986 0.80 ALOX5 (0.64) ALOX5MAPTKDM4EGAAMEN1
SCHEMBL9695875 0.79 GAA (0.47) ALOX5MAPTKDM4EGAAMEN1
SCHEMBL9697639 0.79 NR1H2 (0.55) ALOX5MAPTKDM4EGAAMEN1
SCHEMBL9697799 0.76 NR1H2 (0.51) ALOX5MAPTKDM4EGAAMEN1
SCHEMBL14710592 0.75 MAPT (0.62) ALOX5MAPTKDM4EGAAMEN1
SCHEMBL9696908 0.75 ALOX5 (0.56) ALOX5MAPTKDM4EGAAMEN1

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-1992003419-A1 ISOCARBOSTIRYL COMPOUNDS AND ANTITUMOR USE THEREOF SYNPHAR LABORATORIES, INC. (CA) 1992-03-05 WO disclosed