SCHEMBL9764828

SCHEMBL9764828

CCCCON(CC(c1coc2ccccc12)c1coc2ccccc12)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.40
PTPN1 P18031 2/20 0.35
MAPT P10636 1/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PSMB5 P28074 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
MTNR1A P48039 1/20 0.34

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
SCHEMBL9764885 0.79 ALOX5 (0.49) PTPN1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL9764925 0.75 ALOX5 (0.45) MAOBMAPTPSMB5
SCHEMBL9764854 0.73 MAOB (0.40) MAOBPTPN1MAPTKDM5AKDM7A
SCHEMBL9764899 0.72 MAOB (0.42) MAOBMAPTPSMB5HPGD
SCHEMBL10487743 0.72 MAOB (0.49) MAOBMAPTPSMB5CYP3A4MTNR1A
SCHEMBL9764845 0.70 MAOB (0.42) MAOBMAPTPSMB5HPGD
SCHEMBL9764924 0.69 ALOX5 (0.43) MAOBPSMB5
SCHEMBL10561811 0.68 ALOX5 (0.43) MAOBPSMB5
SCHEMBL669128 0.67 NQO1 (0.43) MAOB
SCHEMBL10593685 0.66 MAOB (0.41) MAOBPTPN1

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