Ethylene Glycol

Ethylene Glycol

SCHEMBL14742452

CC(NC(C)C(=O)O)C(=O)O.OCCO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
MME P08473 2/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
OR51E2 Q9H255 1/20 0.33
TGFBR1 P36897 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC7A5 Q01650 1/20 0.33
GABRR1 P24046 1/20 0.33

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
SCHEMBL4572684 0.88 TP53 (0.47) TP53MMEACECPA1ACE2
SCHEMBL2807366 0.88 TP53 (0.47) TP53MMEACECPA1ACE2
SCHEMBL4572680 0.88 TP53 (0.47) TP53MMEACECPA1ACE2
SCHEMBL109878 0.88 TP53 (0.47) TP53MMEACECPA1ACE2
SCHEMBL3808901 0.88 TP53 (0.47) TP53MMEACECPA1ACE2
SCHEMBL88208 0.88 TP53 (0.47) TP53MMEACECPA1ACE2
Alanine SCHEMBL7753217 0.83 SLC7A5 (0.43) TP53MMEACECPA1ACE2
SCHEMBL14742261 0.80 ENPEP (0.33) MMEACECPA1ACE2CYP2C19
SCHEMBL10208031 0.79 OR51E2 (0.36) TP53MMEACECPA1ACE2
SCHEMBL2557833 0.79 OR51E2 (0.36) TP53MMEACECPA1ACE2

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
WO-2013033046-A2 FLUORESCENT PL MARKERS FOR ISOELECTRIC FOCUSING SEPARATIONS AND FLUORESCENT LABELING VIGH GYULA (US) 2013-03-07 WO disclosed