SCHEMBL9764899

SCHEMBL9764899

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
TP53 P04637 1/20 0.40
HSD17B2 P37059 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
PSMB5 P28074 4/20 0.36
PSMB8 P28062 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
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA2B P29275 1/20 0.35
NQO1 P15559 1/20 0.35

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
SCHEMBL9764845 0.85 MAOB (0.42) MAOBHSD17B2KMT2AMAPTPSMB5
SCHEMBL9764925 0.82 ALOX5 (0.45) MAOBHSD17B2KMT2AMAPTPSMB5
SCHEMBL9764826 0.80 MAOB (0.40) MAOBHSD17B2KMT2APSMB5PSMB8
SCHEMBL10593685 0.77 MAOB (0.41) MAOBHSD17B2KMT2AADORA2B
SCHEMBL9764812 0.75 ALOX5 (0.50) TP53HSD17B2MAPTALDH1A1
SCHEMBL9764828 0.72 MAOB (0.40) MAOBMAPTPSMB5HPGD
SCHEMBL10561811 0.71 ALOX5 (0.43) MAOBHSD17B2KMT2APSMB5PSMB8
SCHEMBL4139411 0.71 MAOB (0.45) MAOBTP53HSD17B2KMT2APSMB5
SCHEMBL9764903 0.70 MAOB (0.42) MAOBTP53MAPTPSMB5PSMB8
SCHEMBL4146586 0.70 MAOB (0.44) MAOBHSD17B2PSMB5PSMB8

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