SCHEMBL7545924

SCHEMBL7545924

COC(=O)Nc1ccc(OCc2nc3cc(C(=O)OC)ccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
PDE10A Q9Y233 1/20 0.44
LMNA P02545 3/20 0.43
AGPAT2 O15120 5/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CETP P11597 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7544987 0.92 MAPT (0.56) MAPTRAB9ASMN1; SMN2NPC1ALOX5AP
SCHEMBL7541707 0.92 MAPT (0.52) MAPTRAB9ASMN1; SMN2NPC1PDE10A
SCHEMBL7550212 0.88 RAB9A (0.51) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7543368 0.87 AGPAT2 (0.57) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7544185 0.86 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7543732 0.86 AGPAT2 (0.58) MAPTRAB9ASMN1; SMN2NPC1AGPAT2
SCHEMBL7547344 0.86 ALOX5AP (0.43) MAPTRAB9ASMN1; SMN2NPC1ALOX5AP
SCHEMBL7544976 0.83 AGPAT2 (0.58) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7542952 0.83 SMN1; SMN2 (0.57) MAPTRAB9ASMN1; SMN2NPC1PDE10A
SCHEMBL7545090 0.83 MAPT (0.52) MAPTRAB9ANPC1PDE10ALMNA

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