SCHEMBL3665939

SCHEMBL3665939

CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 9/20 0.47
GABRB2 P47870 9/20 0.47
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 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
SCHEMBL30684851 1.00 GABRA2 (0.47) GABRA2GABRB2MAPTALDH1A1KMT2A
SCHEMBL6061258 0.93 GABRA2 (0.42) GABRA2GABRB2MAPTALDH1A1KMT2A
SCHEMBL21153068 0.91 GABRA2 (0.46) GABRA2GABRB2MAPTALDH1A1KMT2A
SCHEMBL7637001 0.91 GABRA2 (0.46) GABRA2GABRB2MAPTALDH1A1KMT2A
SCHEMBL29687006 0.91 GABRA2 (0.46) GABRA2GABRB2MAPTALDH1A1KMT2A
SCHEMBL23722 0.91 GABRA2 (0.46) GABRA2GABRB2MAPTALDH1A1KMT2A
SCHEMBL31084630 0.90 GABRA2 (0.44) GABRA2GABRB2MAPTALDH1A1KMT2A
Butane SCHEMBL19283706 0.89 GABRA2 (0.44) GABRA2GABRB2MAPTALDH1A1KMT2A
SCHEMBL18933040 0.86 GABRA2 (0.47) GABRA2GABRB2MAPTALDH1A1KMT2A
Butane SCHEMBL20916981 0.85 LMNA (0.42) GABRA2GABRB2NPC1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155673-A2 3-(2-ALKOXY-PHENYL)-SUBSTITUTED TETRAMATES Bayer CropScience AG (DE) 2010-02-24 EP claimed
EP-2114880-A1 CIS-ALKOXYSPIROCYCLIC BIPHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2009-11-11 EP claimed
EP-2099751-A1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS Bayer CropScience Aktiengesellschaft (DE) 2009-09-16 EP claimed
WO-2008138551-A2 3-(2-ALKOXY-PHENYL)-SUBSTITUTED TETRAMATES BAYER CROPSCIENCE AG (DE) 2008-11-20 WO claimed
WO-2008067911-A1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2008-06-12 WO claimed
WO-2008067910-A1 CIS-ALKOXYSPIROCYCLIC BIPHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-06-12 WO claimed
JP-2007526892-A 2007-09-20 JP claimed
EP-1809635-A1 2,6-DIETHYL-4-METHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer CropScience AG (DE) 2007-07-25 EP claimed
EP-1773126-A1 SELECTIVE INSECTICIDES AND/OR ACARICIDES BASED ON SUBSTITUTED, CYCLIC DICARBONYL COMPOUNDS AND SAFENERS Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP claimed
EP-1761490-A1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS Bayer CropScience Aktiengesellschaft (DE) 2007-03-14 EP claimed
WO-2006056282-A1 2,6-DIETHYL-4-METHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-06-01 WO claimed
EP-1648898-A1 HETARYL-SUBSTITUTED PYRAZOLIDINDIONE DERIVATIVES WITH PESTICIDAL CHARACTERISTICS Bayer CropScience AG (DE) 2006-04-26 EP claimed
EP-1638957-A1 N-HETEROCYCLYL PHENYL-SUBSTITUTED CYCLIC KETOENOLS Bayer CropScience AG (DE) 2006-03-29 EP claimed
WO-2006008107-A1 SELECTIVE INSECTICIDES AND/OR ACARICIDES BASED ON SUBSTITUTED, CYCLIC DICARBONYL COMPOUNDS AND SAFENERS BAYER CROPSCIENCE AG (DE) 2006-01-26 WO claimed
WO-2006000355-A1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-01-05 WO claimed
EP-1587367-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED CYCLIC DICARBONYL COMPOUNDS AND SAFENERS Bayer CropScience AG (DE) 2005-10-26 EP claimed
WO-2005044796-A1 2-HALOGEN-6-ALKYL-PHENYL SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-19 WO claimed
WO-2005005428-A1 HETARYL-SUBSTITUTED PYRAZOLIDINDIONE DERIVATIVES WITH PESTICIDAL CHARACTERISTICS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-20 WO claimed
WO-2004111042-A1 N-HETEROCYCLYL PHENYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-23 WO claimed
WO-2004064520-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED CYCLIC DICARBONYL COMPOUNDS AND SAFENERS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO claimed