Ether

Ether

SCHEMBL2843584

CCOCC.O=C(O)CC(C(=O)Oc1cccc(/C=C/c2ccccc2)c1/C=C/c1ccccc1)S(=O)(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.39
TRPA1 O75762 1/20 0.39
PPARG P37231 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
PLIN1 O60240 1/20 0.36
PLIN5 Q00G26 1/20 0.36
KMT2A Q03164 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPC1 O15118 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
GLA P06280 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34

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 SCHEMBL21144490 0.83 KMT2A (0.38) NFE2L2POLBLMNAMAPTMEN1
SCHEMBL29629095 0.81 NFE2L2 (0.40) NFE2L2TRPA1PPARGPOLBNPC1
SCHEMBL2843586 0.81 NFE2L2 (0.40) NFE2L2TRPA1PPARGPOLBNPC1
Ether SCHEMBL1170797 0.79 NFE2L2 (0.43) NFE2L2TRPA1PPARGLMNACTDSP1
Ether SCHEMBL4785780 0.75 ALDH1A1 (0.40) LMNAMEN1KMT2AALDH1A1KDM4E
Ether SCHEMBL2872980 0.74 ALDH1A1 (0.39) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL18141022 0.73 KMT2A (0.40) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL9420064 0.73 NFE2L2 (0.49) NFE2L2TRPA1PPARGLMNAMAPT
SCHEMBL28245082 0.72 KMT2A (0.39) POLBMAPTMEN1KMT2AALDH1A1
Ether SCHEMBL563787 0.72 NFE2L2 (0.50) NFE2L2TRPA1PPARGPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130640-A1 SEALANT COMPOSITION FOR REPAIRING A PUNCTURED TIRE THE YOKOHAMA RUBBER CO., LTD. (JP) 2010-05-27 US disclosed