SCHEMBL2042610

SCHEMBL2042610

COC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
CYP1A2 P05177 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
ALDH1A1 P00352 3/20 0.70
LMNA P02545 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 2/20 0.70
TP53 P04637 1/20 0.70
ALOX15 P16050 1/20 0.70
NFKB1 P19838 1/20 0.70
HIF1A Q16665 1/20 0.70
GMNN O75496 1/20 0.70
APEX1 P27695 1/20 0.70
PMP22 Q01453 1/20 0.70
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HTT P42858 5/20 0.48
CYP2C19 P33261 2/20 0.43

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
SCHEMBL3088578 1.00 MAPT (0.70) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL30022404 1.00 MAPT (0.70) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL29371056 1.00 MAPT (0.70) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL8880041 0.96 MAPT (0.77) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
Quizalofop Ethyl Ester SCHEMBL30406 0.89 MAPT (0.67) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
Quizalofop-P-Ethyl SCHEMBL53466 0.89 MAPT (0.67) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
Quizalofop Ethyl Ester SCHEMBL9139248 0.89 MAPT (0.67) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
Quizalofop-P-Ethyl SCHEMBL29474422 0.89 MAPT (0.67) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL10882047 0.89 MAPT (0.60) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7083043 0.89 ALDH1A1 (0.72) MAPTCYP1A2SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56016475-A None JP disclosed
JP-56055372-A None JP disclosed
EP-1893016-B1 WATER-IN-OIL SUSPOEMULSIONS BAYER IP GMBH (DE) 2017-09-13 EP disclosed
EP-1651039-B1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN BAYER IP GMBH (DE) 2017-01-04 EP disclosed
EP-1928232-B1 SOLID FORMULATION BAYER IP GMBH (DE) 2016-07-13 EP disclosed
EP-1571908-B1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2014-12-17 EP disclosed
WO-2011076731-A1 LIQUID FORMULATION OF 2-IODO-N-[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)CARBAMOYL]BENZOLSULFONAMIDE BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed
EP-2117317-A2 PENETRATION ENHANCER FOR HERBICIDES AND SAFENERS Bayer CropScience AG (DE) 2009-11-18 EP disclosed
EP-2111104-A2 OIL SUSPENSION CONCENTRATE WITH MICRO-ENCAPSULATED AGROCHEMICAL ACTIVE INGREDIENTS Bayer CropScience AG (DE) 2009-10-28 EP disclosed
EP-2048945-A2 NEW MICROEMULSIFIABLE CONCENTRATES Bayer CropScience AG (DE) 2009-04-22 EP disclosed
WO-1992003053-A1 PLANT PROTECTING AGENTS CONTAINING ISOXAZOLINE OR ISOTHIAZOLINE AND NEW ISOXAZOLINES AND ISOTHIAZOLINES HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-05 WO disclosed
US-5089043-A HETEROCYCLIC OXY-PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES SHIONOGI & CO., LTD. (JP) 1992-02-18 US disclosed
WO-1991008202-A1 ISOXAZOLINES, METHOD OF PREPARATION THEREOF, AND THEIR USE AS PLANT-PROTECTION AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-13 WO disclosed
EP-0427549-A1 Heterocyclic oxy-phenoxyacetic acid derivatives and their use as herbicides SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-05-15 EP disclosed
EP-0417626-A2 Plant protection agents containing N-arylhydrazones and N-arylhydrazones HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 EP disclosed
US-4629493-A NONPHYTOTOXIC TO BROAD LEAF PLANTS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-12-16 US disclosed
EP-0023785-B1 QUINOXALINYLOXYPHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1985-04-03 EP disclosed
JP-S5655372-A D-(ALPHA-PHENOXY)-PROPIONIC ACID DERIVATIVE AND HERBICIDE NISSAN CHEM IND LTD 1981-05-15 JP disclosed
JP-S5616475-A QUINOXALINE DERIVATIVE AND HERBICIDE CONTAINING THE SAME AS EFFECTIVE COMPONENT NISSAN CHEM IND LTD 1981-02-17 JP disclosed
EP-0023785-A2 Quinoxalinyloxyphenoxyalkane carboxylic acid derivatives, their preparation and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1981-02-11 EP disclosed