SCHEMBL7543778

SCHEMBL7543778

COC(=O)Nc1ccc(OCc2nc3cccc(C(=O)OC)c3o2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDR P35968 2/20 0.43
CETP P11597 1/20 0.43
ALOX5 P09917 6/20 0.42
EPHX2 P34913 6/20 0.42
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX5AP P20292 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7543899 0.92 MAPT (0.45) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL7547406 0.90 KDR (0.46) KDRCETPALOX5EPHX2KMT2A
SCHEMBL7548871 0.87 KDR (0.44) KDRALOX5EPHX2KMT2AHTT
SCHEMBL8666294 0.85 SMN1; SMN2 (0.49) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL7545447 0.85 MAPT (0.45) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL7541413 0.83 LMNA (0.47) MAPTKDM4EHPGDKDRALOX5
SCHEMBL7542502 0.82 MAPT (0.46) MAPTKDRCETPKMT2AMEN1
SCHEMBL7544894 0.82 KDR (0.40) KDRALOX5EPHX2KMT2AHTT
SCHEMBL7543749 0.81 ALOX5 (0.45) MAPTHPGDKDRCETPALOX5
SCHEMBL7543761 0.80 MAPT (0.46) MAPTKDM4EHPGDCYP3A4NPC1

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