SCHEMBL4433853

SCHEMBL4433853

CCC1(CC)NC(=O)C(c2ccc(Cl)cc2OC)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.39
ADAMTS5 Q9UNA0 2/20 0.39
CA2 P00918 2/20 0.37
PGR P06401 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
MAPT P10636 1/20 0.36
CDYL2 Q8N8U2 1/20 0.35
CDYL Q9Y232 1/20 0.35
LMNA P02545 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 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
SCHEMBL6997566 0.87 CA2 (0.37) CA2MAPTMAPK1ALOX15
SCHEMBL8554454 0.84 CACNB4 (0.35) PGRMAPTLMNACACNB4CACNA1A
SCHEMBL4426474 0.79 ADAM17 (0.46) ADAM17ADAMTS5CA2TRPV4CDYL2
SCHEMBL8863015 0.72 MEN1 (0.35) MAPTLMNAALOX15
SCHEMBL4433341 0.71 GAA (0.40) ADAM17ADAMTS5CA2TRPV4CDYL2
SCHEMBL6986616 0.65 CA2 (0.36) ADAM17ADAMTS5CA2LMNAMAPK1
SCHEMBL8555344 0.65 CACNB4 (0.38) PGRMAPTLMNACACNB4CACNA1A
SCHEMBL13673137 0.65 LMNA (0.39) TRPV4LMNA
SCHEMBL3640338 0.65 GSK3B (0.39) ADAM17
SCHEMBL4433818 0.64 CA2 (0.49) CA2MAPTMAPK1ALOX15

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-0741700-B1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2009-10-07 EP disclosed
EP-0741700-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-11-13 EP disclosed
WO-1995020572-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-08-03 WO disclosed