SCHEMBL7548799

SCHEMBL7548799

COC(=O)N(c1ccc(OCc2nc3ccccc3s2)cc1C)C(OC)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.52
ALOX5 P09917 12/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX5AP P20292 1/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7546054 0.90 EPHX2 (0.54) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7544811 0.88 ALOX5 (0.53) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7548782 0.87 ALOX5 (0.57) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7543745 0.83 ALOX5 (0.53) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7548666 0.83 NPC1 (0.61) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7545587 0.82 NPC1 (0.60) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7545014 0.82 NPC1 (0.53) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7542093 0.81 ALOX5 (0.54) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7543673 0.81 ALOX5 (0.54) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7547320 0.81 PDE10A (0.41) ALOX5NPC1MAPTRAB9AALOX5AP

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