SCHEMBL7547264

SCHEMBL7547264

CCC(=O)OCCN(C(C)=O)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
ALOX5 P09917 9/20 0.51
EPHX2 P34913 9/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX5AP P20292 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.43

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
SCHEMBL7545002 0.92 NPC1 (0.52) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL7542416 0.92 NPC1 (0.55) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL7547306 0.91 NPC1 (0.51) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL8664090 0.91 ALOX5 (0.51) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL7544421 0.89 NPC1 (0.54) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL7549389 0.89 ALOX5 (0.52) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL7548365 0.87 NPC1 (0.58) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL7544482 0.87 NPC1 (0.60) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL7541275 0.86 NPC1 (0.49) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL7545263 0.86 NPC1 (0.48) NPC1RAB9AL3MBTL1MAPTHTT

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-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed