SCHEMBL7547320

SCHEMBL7547320

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.37
ALOX5AP P20292 1/20 0.37
PPARD Q03181 5/20 0.35
POLB P06746 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7548833 0.83 PDE10A (0.47) PDE10AALOX5LMNAALOX5APPPARD
SCHEMBL7542014 0.82 PDE10A (0.51) PDE10AALOX5LMNAALOX5APPPARD
SCHEMBL7547396 0.81 PDE10A (0.43) PDE10AALOX5LMNAALOX5APPPARD
SCHEMBL7548799 0.81 EPHX2 (0.52) ALOX5ALOX5APCYP1A2CYP2C19ALDH1A1
SCHEMBL7545911 0.81 PDE10A (0.45) PDE10AALOX5LMNAALOX5APPPARD
SCHEMBL7548347 0.81 PDE10A (0.45) PDE10AALOX5LMNAALOX5APPPARD
SCHEMBL7545435 0.80 PDE10A (0.47) PDE10AALOX5LMNAALOX5APPPARD
SCHEMBL7548379 0.80 PDE10A (0.43) PDE10AALOX5LMNAALOX5APPPARD
SCHEMBL7541458 0.79 PDE10A (0.44) PDE10AALOX5LMNAALOX5APPPARD
SCHEMBL7542088 0.79 PDE10A (0.44) PDE10AALOX5LMNAALOX5APPPARD

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