SCHEMBL9764872

SCHEMBL9764872

CCC(c1coc2ccccc12)(c1coc2ccccc12)N(O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.39
ALOX5 P09917 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 2/20 0.35
AHR P35869 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
KMT2A Q03164 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9764908 0.82 MAOB (0.39) MAOBALOX5CA2MAPTALDH1A1
SCHEMBL9764896 0.81 MAOB (0.38) MAOBALOX5CA2MAPTALDH1A1
SCHEMBL10609848 0.73 MAOB (0.40) MAOBCA2KDM4EMAPTPSMB8
SCHEMBL9764903 0.73 MAOB (0.42) MAOBCA2KDM4EMAPTGAA
SCHEMBL9764842 0.73 ALOX5 (0.48) ALOX5KDM4EMAPTALDH1A1GAA
SCHEMBL9764879 0.73 CA2 (0.39) MAOBALOX5CA2MAPTALDH1A1
SCHEMBL10555909 0.73 MAOB (0.37) MAOBCA2KDM4EAHRMAPT
SCHEMBL9764914 0.71 MAOB (0.40) MAOBCA2PSMB8PSMB5
SCHEMBL4146582 0.71 MAOB (0.43) MAOBCA2KDM4EPSMB8PSMB5
Ammonia Solution, Strong SCHEMBL9764887 0.70 MAOB (0.39) MAOBMAPTPSMB8PSMB5

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 6 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
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed
US-4769387-A Dibenzofuran lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1988-09-06 US disclosed