Ether

Ether

SCHEMBL9560126

CCOCC.O=C(CO)NCO.O=C(CO)NCO

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ALDH1A1 P00352 5/20 0.35
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TSHR P16473 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30

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
Methoxymethane SCHEMBL9700240 0.82 RECQL (0.39) GAAALDH1A1MGAMSIMGAM2
SCHEMBL9559963 0.82 EPHX2 (0.36) TSHRRECQLMEN1KMT2A
SCHEMBL6980552 0.82
SCHEMBL9735108 0.77 EPHX2 (0.44) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL5143610 0.74 RAB9A (0.54) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL6164664 0.73 GAA (0.66) GAAALDH1A1MGAMSIMGAM2
Ether SCHEMBL28028782 0.72
Ether SCHEMBL423988 0.71 TSHR (0.48) GAAALDH1A1TSHREGLN1
Dihydroxyacetone SCHEMBL14166391 0.71 ALDH1A1 (0.43) GAAALDH1A1MGAMSIMGAM2
SCHEMBL606521 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553116-A1 PORPHYRIN DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 1993-08-04 EP claimed
WO-1992006097-A1 PORPHYRIN DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 1992-04-16 WO claimed
EP-0553116-A1 PORPHYRIN DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 1993-08-04 EP disclosed
WO-1992006097-A1 PORPHYRIN DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 1992-04-16 WO disclosed