SCHEMBL4623306

SCHEMBL4623306

CCC(ON=C(OCC1CC1)c1ccccc1C(=COC)C(=O)O)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.34
CNR2 P34972 4/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CNR1 P21554 1/20 0.31
DRD2 P14416 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL6411933 1.00 PTGIR (0.34) PTGIRCNR2CHRNB2CHRNB4CHRNA3
SCHEMBL4623301 1.00 PTGIR (0.34) PTGIRCNR2CHRNB2CHRNB4CHRNA3
SCHEMBL3463067 0.92 PTGIR (0.33) PTGIRCNR2MEN1GAAKMT2A
SCHEMBL6515405 0.92 PTGIR (0.33) PTGIRCNR2MEN1GAAKMT2A
SCHEMBL7972362 0.87 ALDH1A1 (0.34) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7995297 0.87 ALDH1A1 (0.34) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL424400 0.86 CNR2 (0.33) PTGIRCNR2MEN1GAAKMT2A
SCHEMBL424401 0.86 CNR2 (0.33) PTGIRCNR2MEN1GAAKMT2A
SCHEMBL424402 0.83 MEN1 (0.35) PTGIRCNR2MEN1GAAKMT2A
SCHEMBL7972305 0.80 ALDH1A1 (0.32) MEN1GAAKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441590-B1 FUNGICIDE COMPOSITION COMPRISING PYRIMETHANIL AND AT LEAST A PHOSPHOROUS ACID DERIVATIVE AND USE THEREOF FOR FIGHTING AGAINST PLANT DISEASES BAYER CROPSCIENCE SA (FR) 2008-05-07 EP disclosed
US-6881705-B2 Fungicidal composition and use of this composition for controlling plant diseases BAYER CROPSCIENCE S.A. (FR) 2005-04-19 US disclosed
EP-1411766-B1 FUNGICIDAL COMPOSITION AND USE OF THIS COMPOSITION FOR CONTROLLING PLANT DISEASES BAYER CROPSCIENCE SA (FR) 2005-03-16 EP disclosed
US-20050019420-A1 Fungicide composition comprising pyrimethanil and at least a phosphorous acid derivative and use thereof for fighting against plant diseases BAYER CROPSCIENCE S.A. (FR) 2005-01-27 US disclosed
EP-1427288-B1 FUNGICIDE COMPOSITION COMPRISING PYRIMETHANIL AND IPRODIONE BAYER CROPSCIENCE SA (FR) 2004-12-29 EP disclosed
US-20040235874-A1 Fungicidal composition comprising pyrimethanil and iprodione BAYER CROPSCIENCE S.A. (FR) 2004-11-25 US disclosed
US-20040167144-A1 Fungicidal composition and use of this composition for controlling plant diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-08-26 US disclosed
EP-1441590-A1 FUNGICIDE COMPOSITION COMPRISING PYRIMETHANIL AND AT LEAST A PHOSPHOROUS ACID DERIVATIVE AND USE THEREOF FOR FIGHTING AGAINST PLANT DISEASES Bayer CropScience S.A. (FR) 2004-08-04 EP disclosed
WO-2003039257-A1 FUNGICIDE COMPOSITION COMPRISING PYRIMETHANIL AND AT LEAST A PHOSPHOROUS ACID DERIVATIVE AND USE THEREOF FOR FIGHTING AGAINST PLANT DISEASES BAYER CROPSCIENCE S.A. (FR) 2003-05-15 WO disclosed
WO-2001025206-A1 METHOD FOR PREPARING HYDROXIMIC COMPOUNDS FOR USE AS FUNGICIDES AVENTIS CROPSCIENCE SA (FR) 2001-04-12 WO disclosed