SCHEMBL7543738

SCHEMBL7543738

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE10A Q9Y233 1/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
F2 P00734 1/20 0.38
MIF P14174 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARD Q03181 3/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL7548693 0.96 MAPT (0.43) TP53NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL7541458 0.94 PDE10A (0.44) TP53NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL7548833 0.93 PDE10A (0.47) TP53NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL7550323 0.89 PDE10A (0.42) TP53NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL7549521 0.88 PDE10A (0.43) TP53NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL7542088 0.88 PDE10A (0.44) NPC1RAB9ASMN1; SMN2PDE10ALMNA
SCHEMBL7548710 0.86 PDE10A (0.44) TP53NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL7545435 0.85 PDE10A (0.47) TP53NPC1RAB9APDE10ALMNA
SCHEMBL7545911 0.84 PDE10A (0.45) TP53NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL7542014 0.84 PDE10A (0.51) TP53NPC1RAB9ASMN1; SMN2PDE10A

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