Ether

Ether

SCHEMBL28615296

CCOCC.COC(=O)C#CC(=O)OC

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 5/20 0.36
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
PGK1 P00558 1/20 0.32
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL25706 0.83 ALDH1A1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2945943 0.82 GAA (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1513482 0.81 ALDH1A1 (0.31) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1495883 0.79 TSHR (0.33) MGAMGAASIMGAM2ALDH1A1
Ether SCHEMBL6679392 0.75 ALDH1A1 (0.62) MGAMGAASIMGAM2ALDH1A1
Ether SCHEMBL29070734 0.75 ALDH1A1 (0.41) MGAMGAASIMGAM2ALDH1A1
Ether SCHEMBL16229 0.75 ALDH1A1 (0.62) MGAMGAASIMGAM2ALDH1A1
Ether SCHEMBL11351149 0.75 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
Ether SCHEMBL15688536 0.75 ALDH1A1 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1088738 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307800-A EGCG derivative and preparation method thereof 武夷山成隆天创茶业科技股份有限公司 2021-08-27 CN claimed
CN-113307800-A EGCG derivative and preparation method thereof 武夷山成隆天创茶业科技股份有限公司 2021-08-27 CN disclosed