Ether

Ether

SCHEMBL4785780

C=CCc1ccccc1OC(=O)C(CC(=O)O)S(=O)(=O)O.CCOCC

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.38
GAA P10253 1/20 0.38
ADRB2 P07550 4/20 0.37
HTR1A P08908 2/20 0.37
ELANE P08246 1/20 0.36
ADRB1 P08588 3/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
Ether SCHEMBL2872980 0.99 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL15048641 0.93 KDM4E (0.41) ALDH1A1LMNAMEN1KMT2AL3MBTL1
Ether SCHEMBL5819722 0.87 ADRB2 (0.38) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL15048640 0.85 ADRB2 (0.41) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL18141022 0.83 KMT2A (0.40) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL3637623 0.83 KDM4E (0.34) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
Ether SCHEMBL18378451 0.83 ADRB2 (0.37) ALDH1A1LMNAMEN1KMT2AL3MBTL1
2-Allylphenol SCHEMBL21051084 0.82 AKR1B1 (0.35) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL28245082 0.82 KMT2A (0.39) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL4785783 0.80 KDM4E (0.40) ALDH1A1LMNAKDM4EADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470741-B2 oil-based concentrate which is homogenous for at least 24 hours and which emulsifies readily on dilution into water CRODA AMERICAS LLC (US) 2013-06-25 US claimed
EP-3322290-A1 AGRICULTURAL ADJUVANT COMPOSITIONS OF OIL/SURFACTANT/SALT EMULSIONS AND METHODS FOR USE Rhodia Operations (FR) 2018-05-23 EP disclosed
WO-2017011651-A1 AGRICULTURAL ADJUVANT COMPOSITIONS OF OIL/SURFACTANT/SALT EMULSIONS AND METHODS FOR USE SOLVAY USA INC. (US) 2017-01-19 WO disclosed
EP-1951039-A2 AGRICULTURAL ADJUVANT COMPOSITIONS, PESTICIDE COMPOSITIONS, AND METHODS FOR USING SUCH COMPOSITIONS RHODIA INC. (US) 2008-08-06 EP disclosed
WO-2008066611-A2 AGRICULTURAL ADJUVANT COMPOSITIONS. PESTICIDE COMPOSITIONS. AND METHODS FOR USING SUCH COMPOSITIONS RHODIA INC. (US) 2008-06-05 WO disclosed
WO-2007059107-A2 AGRICULTURAL ADJUVANT COMPOSITIONS, PESTICIDE COMPOSITIONS, AND METHODS FOR USING SUCH COMPOSITIONS RHODIA INC. (US) 2007-05-24 WO disclosed