SCHEMBL9764827

SCHEMBL9764827

CCCn1c2ccccc2c2cc(CCN(O)C(N)=O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 1/20 0.51
NPC1 O15118 3/20 0.50
CNR2 P34972 7/20 0.47
RORC P51449 3/20 0.47
SMPD1 P17405 1/20 0.44
RORA P35398 2/20 0.44
RORB Q92753 2/20 0.44
PGR P06401 2/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 0.83 POLB (0.51) ALDH1A1HPGDPOLBKDM4ELMNA
SCHEMBL9764822 0.82 POLB (0.46) ALDH1A1HPGDPOLBKDM4ELMNA
SCHEMBL9764927 0.79 P2RX4 (0.47) ALDH1A1HPGDPOLBKDM4ELMNA
SCHEMBL28266234 0.76 NPC1 (0.80) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL29643244 0.76 NPC1 (0.80) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL31694997 0.76 ALDH1A1 (0.55) ALDH1A1HPGDPOLBKDM4ELMNA
SCHEMBL5807330 0.76 PGR (0.63) ALDH1A1HPGDPOLBKDM4ELMNA
SCHEMBL16093698 0.73 ALDH1A1 (0.58) ALDH1A1HPGDPOLBKDM4ELMNA
SCHEMBL14280393 0.72 ALDH1A1 (0.53) ALDH1A1HPGDPOLBKDM4ELMNA
SCHEMBL4725593 0.72 KDM4E (0.74) ALDH1A1HPGDPOLBKDM4ELMNA

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