Ether

Ether

SCHEMBL4868795

CCOCC.O=[N+]([O-])c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
MEN1 O00255 1/20 0.50
ATM Q13315 1/20 0.50
TLR9 Q9NR96 1/20 0.50
AR P10275 3/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
Nitrobenzene SCHEMBL1153925 0.89 ALDH1A1 (0.67) MAPK1ALDH1A1LMNAKMT2AL3MBTL1
Alcohol SCHEMBL28158022 0.85 POLB (0.66) POLBMAPK1ALDH1A1LMNAKMT2A
SCHEMBL25187033 0.84 MAPK1 (0.74) POLBMAPK1ALDH1A1LMNAKMT2A
SCHEMBL167524 0.84 MAPK1 (0.74) POLBMAPK1ALDH1A1LMNAKMT2A
Ether SCHEMBL4222947 0.84 HSPB1 (0.56) POLBMAPK1ALDH1A1KMT2AMEN1
Alcohol SCHEMBL28377510 0.84 POLB (0.64) POLBMAPK1ALDH1A1LMNAKMT2A
Methylamine SCHEMBL9267123 0.83 MAPK1 (0.67) POLBMAPK1ALDH1A1LMNAKMT2A
Water SCHEMBL4868802 0.82 MAPK1 (0.71) POLBMAPK1ALDH1A1LMNAKMT2A
SCHEMBL28375748 0.82 MAPK1 (0.71) POLBMAPK1ALDH1A1LMNAKMT2A
Ammonia Solution, Strong SCHEMBL9570816 0.82 MAPK1 (0.71) POLBMAPK1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017095960-A1 COMPOSITIONS AND METHODS FOR EXPRESSING GENES IN ALGAE SYNTHETIC GENOMICS, INC. (US) 2017-06-08 WO disclosed
US-7364881-B1 Biological process for the conversion of nitroarenes to ortho-aminophenols using recombinant E. coli strains UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2008-04-29 US disclosed
US-6797497-B1 USED TO BREAKDOWN ORGANIC COMPOUNDS INTO MORE CELL BIOMASS AND LESS COMPLEX COMPOUNDS USING HYDROXYLAMINOBENZENE MUTASE; COMPRISES NITROREDUCTASES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2004-09-28 US disclosed
EP-0079635-B1 ARYLPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1986-05-21 EP disclosed
US-4550205-A CONTROLLING WEEDS; LEAF-DESSICATION; DEFOLIATION DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1985-10-29 US disclosed
EP-0080746-B1 NEW DIPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-08-21 EP disclosed
EP-0080746-A1 New diphenyl ethers having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-06-08 EP disclosed
EP-0079635-A1 Arylphenyl ethers having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-05-25 EP disclosed