SCHEMBL7541458

SCHEMBL7541458

CCOC(=O)N(C(=O)OC)c1ccc(OCc2nc3ccccc3o2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
LMNA P02545 2/20 0.40
RAB9A P51151 5/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARD Q03181 3/20 0.37
ALOX5AP P20292 1/20 0.37
POLB P06746 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
MAOB P27338 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36

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 0.95 PDE10A (0.47) PDE10ALMNARAB9AALDH1A1NPC1
SCHEMBL7543738 0.94 TP53 (0.43) PDE10ALMNARAB9AALDH1A1NPC1
SCHEMBL7548693 0.93 MAPT (0.43) PDE10ALMNARAB9AALDH1A1NPC1
SCHEMBL7542088 0.93 PDE10A (0.44) PDE10ALMNARAB9AALDH1A1NPC1
SCHEMBL7550323 0.91 PDE10A (0.42) PDE10ALMNARAB9AALDH1A1NPC1
SCHEMBL7549521 0.91 PDE10A (0.43) PDE10ALMNARAB9AALDH1A1NPC1
SCHEMBL7548710 0.91 PDE10A (0.44) PDE10ALMNARAB9AALDH1A1NPC1
SCHEMBL7545435 0.88 PDE10A (0.47) PDE10ALMNARAB9ANPC1ALOX5
SCHEMBL7545911 0.87 PDE10A (0.45) PDE10ALMNARAB9AALDH1A1NPC1
SCHEMBL7542014 0.86 PDE10A (0.51) PDE10ALMNARAB9AALDH1A1NPC1

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