SCHEMBL9764822

SCHEMBL9764822

CC(C)n1c2ccccc2c2cc(CCN(O)C(N)=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
NPY5R Q15761 6/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
RORC P51449 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HTT P42858 1/20 0.36
FDFT1 P37268 2/20 0.36
SMPD1 P17405 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
SCHEMBL9764967 0.84 POLB (0.51) POLBMAPTNPY5RKDM4ELMNA
SCHEMBL9764827 0.82 ALDH1A1 (0.54) POLBMAPTKDM4ELMNAMAPK1
SCHEMBL9764927 0.80 P2RX4 (0.47) POLBMAPTKDM4ELMNAMAPK1
SCHEMBL24667919 0.76 KMT2A (0.51) POLBMAPTNPY5RKDM4ELMNA
SCHEMBL10559855 0.74 ALOX5 (0.52) NPY5RKMT2AMEN1
SCHEMBL4727525 0.74 MEN1 (0.55) POLBMAPTNPY5RKDM4ERORC
SCHEMBL29643278 0.74 MEN1 (0.55) POLBMAPTNPY5RKDM4ERORC
SCHEMBL4726731 0.72 KMT2A (0.54) POLBMAPTNPY5RKDM4ELMNA
SCHEMBL9764866 0.71 ALOX5 (0.43) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL9764861 0.71 KDM4E (0.51) MAPTNPY5RKDM4ERORCKMT2A

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