SCHEMBL322285

SCHEMBL322285

[CH2]C(C)(C)CCOc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.45
MAPT P10636 4/20 0.44
APP P05067 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 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
SCHEMBL483910 0.83 CA12 (0.48) PPARAMAPTAPPCA12CA1
SCHEMBL21414840 0.80 PPARA (0.45) PPARAMAPTAPPCA12CA1
SCHEMBL1343630 0.78 CA12 (0.65) MAPTAPPCA12CA1CA2
SCHEMBL16472055 0.78 PPARA (0.54) PPARAMAPTAPPCA12CA1
SCHEMBL23539171 0.77 PPARA (0.47) PPARAMAPTAPPMTNR1AMTNR1B
SCHEMBL23539455 0.76 APP (0.45) PPARAMAPTAPPMTNR1AMTNR1B
SCHEMBL23539109 0.76 PPARA (0.46) PPARAMAPTAPPCA12CA1
SCHEMBL23540162 0.76 PPARA (0.46) PPARAMAPTAPPCA12CA1
SCHEMBL23539112 0.76 PPARA (0.46) PPARAMAPTAPPCA12CA1
SCHEMBL8434882 0.75 CA12 (0.61) MAPTAPPCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004293-A2 INSECTICIDE AND FUNGICIDE ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2012-01-12 WO claimed
JP-2011509971-A 2011-03-31 JP claimed
EP-2234489-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2010-10-06 EP claimed
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
WO-2009090181-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2009-07-23 WO claimed
EP-2605656-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS Bayer Intellectual Property GmbH (DE) 2013-06-26 EP disclosed
EP-2477497-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE Bayer CropScience AG (DE) 2012-07-25 EP disclosed
EP-2443090-A1 SUBSTITUTED ENAMINO CARBONYL COMPOUNDS Bayer Cropscience AG (DE) 2012-04-25 EP disclosed
WO-2012022705-A1 USE OF N-PHENYLETHYLPYRAZOLE CARBOXAMIDE DERIVATIVES OR SALTS THEREOF FOR CONTROLLING POWDERY MILDEW PRIMARY INFECTIONS BAYER CROPSCIENCE AG (DE) 2012-02-23 WO disclosed
EP-2369932-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2011092147-A1 METHOD TO REDUCE THE FREQUENCY AND/OR INTENSITY OF BLOSSOM-END ROT DISORDER IN HORTICULTURAL CROPS BAYER CROPSCIENCE AG (DE) 2011-08-04 WO disclosed
EP-2323488-A2 METHOD FOR IMPROVING PLANT GROWTH Bayer CropScience AG (DE) 2011-05-25 EP disclosed
WO-2010145764-A1 SUBSTITUTED ENAMINO CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2010-12-23 WO disclosed
EP-2259685-A2 COMBINATIONS OF BIOLOGICAL CONTROL AGENTS AND INSECTICIDES OR FUNGICIDES Bayer CropScience AG (DE) 2010-12-15 EP disclosed
EP-2234489-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2010-10-06 EP disclosed
WO-2010060982-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2010-06-03 WO disclosed
WO-2010022897-A2 METHOD FOR IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-03-04 WO disclosed
WO-2009156090-A2 INSECTICIDAL SULFUR-DERIVATIZED 1-AZINYLPYRAZOLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-12-30 WO disclosed
WO-2009124707-A2 COMBINATIONS OF BIOLOGICAL CONTROL AGENTS AND INSECTICIDES OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-10-15 WO disclosed
WO-2009090181-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2009-07-23 WO disclosed