Ether

Ether

SCHEMBL539084

C(OCC1CO1)C1CO1.CCOCC.OCC1CO1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 9/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 4/20 0.45
MAPK1 P28482 1/20 0.45
PDK1 Q15118 2/20 0.36
TP53 P04637 3/20 0.32
CYP3A4 P08684 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 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
Ether SCHEMBL498277 0.91 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Ether SCHEMBL7151873 0.89 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Ether SCHEMBL539347 0.89 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Glycidol SCHEMBL27421221 0.89 TSHR (0.54) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Ether SCHEMBL11503250 0.87 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Cyclohexane SCHEMBL28207336 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Ether SCHEMBL7696537 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Alcohol SCHEMBL150777 0.84 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Ethylene Glycol SCHEMBL7266170 0.83 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Propylene Glycol SCHEMBL21496132 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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
EP-2414431-A1 THINNERS FOR AQUEOUS SUSPENSIONS OF MINERAL PARTICLES AND HYDRAULIC BINDER PASTES Chryso (FR) 2012-02-08 EP disclosed
WO-2010112775-A1 THINNERS FOR AQUEOUS SUSPENSIONS OF MINERAL PARTICLES AND HYDRAULIC BINDER PASTES CHRYSO (FR) 2010-10-07 WO disclosed