SCHEMBL9696908

SCHEMBL9696908

CCOC(=O)c1c(Cc2ccccc2)[nH]c(=O)c2c(O)cc(O)cc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.56
PTGES O14684 7/20 0.54
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK10 P53779 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL9697639 0.85 NR1H2 (0.55) ALOX5KDM4EMEN1ALDH1A1LMNA
SCHEMBL9697037 0.83 GAA (0.65) ALOX5PTGESKDM4EMEN1ALDH1A1
SCHEMBL9697799 0.81 NR1H2 (0.51) ALOX5KDM4EMEN1ALDH1A1LMNA
SCHEMBL11553029 0.81 ALOX5 (0.54) ALOX5PTGESKDM4E
SCHEMBL7826782 0.81 ALOX5 (0.81) ALOX5PTGESKDM4EMEN1ALDH1A1
SCHEMBL9696986 0.76 ALOX5 (0.64) ALOX5PTGESKDM4EMEN1ALDH1A1
SCHEMBL9696910 0.76 ADORA2B (0.49) ALOX5PTGESKDM4EMEN1ALDH1A1
SCHEMBL9695875 0.75 GAA (0.47) ALOX5PTGESKDM4EMEN1ALDH1A1
SCHEMBL9698079 0.75 ALOX5 (0.53) ALOX5PTGESKDM4EMEN1ALDH1A1
SCHEMBL9698103 0.74 ALOX5 (0.52) ALOX5PTGESKDM4EMEN1ALDH1A1

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