SCHEMBL7543091

SCHEMBL7543091

CCC(=O)OCN(C(=O)OC)c1ccc(OCc2nc3ccccc3o2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.36
PPARD Q03181 3/20 0.36
ALOX5AP P20292 1/20 0.35
PPARG P37231 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARA Q07869 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7547319 0.92 PDE10A (0.41) PDE10ALMNAALOX5PPARDALOX5AP
SCHEMBL7548379 0.91 PDE10A (0.43) PDE10ALMNAALOX5PPARDALOX5AP
SCHEMBL7547396 0.91 PDE10A (0.43) PDE10ALMNAALOX5PPARDALOX5AP
SCHEMBL7545911 0.89 PDE10A (0.45) PDE10ALMNAALOX5PPARDALOX5AP
SCHEMBL7549709 0.89 PDE10A (0.43) PDE10ALMNAALOX5PPARDALOX5AP
SCHEMBL7548347 0.87 PDE10A (0.45) PDE10ALMNAALOX5PPARDALOX5AP
SCHEMBL7545816 0.85 PDE10A (0.42) PDE10ALMNAPPARGTDP1POLB
SCHEMBL7548833 0.84 PDE10A (0.47) PDE10ALMNAALOX5PPARDALOX5AP
SCHEMBL7541024 0.84 PDE10A (0.43) PDE10ALMNAALOX5PPARDALOX5AP
SCHEMBL7542088 0.84 PDE10A (0.44) PDE10ALMNAALOX5PPARDALOX5AP

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