SCHEMBL7542014

SCHEMBL7542014

COC(=O)N(C)c1ccc(OCc2nc3ccccc3o2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.40
PPARG P37231 2/20 0.39
PPARD Q03181 3/20 0.39
POLB P06746 2/20 0.39
ALOX5AP P20292 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7548833 0.91 PDE10A (0.47) PDE10ALMNAALOX5PPARGPPARD
SCHEMBL7541837 0.90 PDE10A (0.52) PDE10ALMNAALOX5PPARGPPARD
SCHEMBL7545911 0.88 PDE10A (0.45) PDE10ALMNAALOX5PPARGPPARD
SCHEMBL7548347 0.88 PDE10A (0.45) PDE10ALMNAALOX5PPARGPPARD
SCHEMBL7541458 0.86 PDE10A (0.44) PDE10ALMNAALOX5PPARGPPARD
SCHEMBL7542088 0.86 PDE10A (0.44) PDE10ALMNAALOX5PPARGPPARD
SCHEMBL7548710 0.86 PDE10A (0.44) PDE10ALMNAALOX5PPARGPPARD
SCHEMBL7545435 0.85 PDE10A (0.47) PDE10ALMNAALOX5PPARDPOLB
SCHEMBL7548379 0.85 PDE10A (0.43) PDE10ALMNAALOX5PPARGPPARD
SCHEMBL7541024 0.85 PDE10A (0.43) PDE10ALMNAALOX5PPARGPPARD

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