SCHEMBL9764903

SCHEMBL9764903

CCCC(=O)N(O)C(C)(c1coc2ccccc12)c1coc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
TP53 P04637 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 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
SCHEMBL10609848 0.86 MAOB (0.40) MAOBMAPTKDM4EL3MBTL1CYP17A1
SCHEMBL9764914 0.83 MAOB (0.40) MAOBPSMB8PSMB5KDM4CCA2
SCHEMBL9764908 0.82 MAOB (0.39) MAOBMAPTGAACA2
Ammonia Solution, Strong SCHEMBL9764887 0.82 MAOB (0.39) MAOBMAPTPSMB8PSMB5KDM4C
SCHEMBL9764896 0.81 MAOB (0.38) MAOBMAPTGAACA2
SCHEMBL9764869 0.80 MAOB (0.37) MAOBMAPTPSMB8PSMB5KDM4C
SCHEMBL10560471 0.80 MAOB (0.37) MAOBMAPTPSMB8PSMB5KDM4C
SCHEMBL10593829 0.78 MAOB (0.39) MAOBMAPTKDM4EL3MBTL1LMNA
SCHEMBL9764879 0.76 CA2 (0.39) MAOBMAPTPSMB8PSMB5KDM4C
SCHEMBL9764835 0.74 MAOB (0.41) MAOBMAPTCA2

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