SCHEMBL9764845

SCHEMBL9764845

CC(=O)N(O)CC(c1coc2ccccc12)c1coc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
KMT2A Q03164 2/20 0.42
PSMB5 P28074 5/20 0.41
PSMB8 P28062 2/20 0.41
HSD17B2 P37059 1/20 0.40
ADORA2B P29275 1/20 0.37
CMA1 P23946 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4C Q9H3R0 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
SCHEMBL9764925 0.85 ALOX5 (0.45) MAOBKMT2APSMB5PSMB8HSD17B2
SCHEMBL9764899 0.85 MAOB (0.42) MAOBKMT2APSMB5PSMB8HSD17B2
SCHEMBL9764826 0.83 MAOB (0.40) MAOBKMT2APSMB5PSMB8HSD17B2
SCHEMBL10593685 0.78 MAOB (0.41) MAOBKMT2AHSD17B2ADORA2B
SCHEMBL10561811 0.74 ALOX5 (0.43) MAOBKMT2APSMB5PSMB8HSD17B2
SCHEMBL9764924 0.72 ALOX5 (0.43) MAOBKMT2APSMB5HSD17B2
SCHEMBL5762115 0.71 MAOB (0.49) MAOBPSMB5PSMB8HSD17B2ADORA2B
SCHEMBL4139411 0.71 MAOB (0.45) MAOBKMT2APSMB5PSMB8HSD17B2
SCHEMBL9764828 0.70 MAOB (0.40) MAOBPSMB5MAPTHPGD
SCHEMBL4146586 0.70 MAOB (0.44) MAOBPSMB5PSMB8HSD17B2KDM4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed