SCHEMBL8564405

SCHEMBL8564405

CCOC(=O)Oc1cc(Cl)c(C)nc1OC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 3/20 0.44
ALOX5 P09917 1/20 0.38
CA2 P00918 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR9 Q9NR96 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
GLP1R P43220 1/20 0.35
TNF P01375 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
GPR55 Q9Y2T6 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
SCHEMBL9231055 0.84 ALOX5 (0.39) CUL4AALOX5CA2ALDH1A1MAPK1
SCHEMBL8565917 0.82 KDM4E (0.39) CUL4AALOX5CA2MAPTALDH1A1
SCHEMBL8559572 0.82 CUL4A (0.41) CUL4AALOX5CA2MAPTALDH1A1
SCHEMBL8564214 0.79 ALDH1A1 (0.39) CUL4AALOX5CA2MAPTALDH1A1
SCHEMBL8560861 0.78 ALDH1A1 (0.44) MAPTALDH1A1NPSR1TP53XBP1
SCHEMBL8560830 0.77 ALDH1A1 (0.40) MAPTALDH1A1NPSR1NPC1XBP1
SCHEMBL8560927 0.77 ALOX5 (0.41) CUL4AALOX5CA2MAPTALDH1A1
SCHEMBL9677441 0.76 PTPN1 (0.41) CUL4AALOX5CA2MAPTALDH1A1
SCHEMBL8558196 0.76 ALOX5 (0.38) CUL4AALOX5CA2ALDH1A1TNF
SCHEMBL8561228 0.76 KDM4E (0.39) CUL4AALOX5CA2MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661282-B1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AG (DE) 1998-04-22 EP disclosed
EP-0661282-A1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed