Ethylene Glycol

Ethylene Glycol

SCHEMBL16014305

C[C@@](O)(C(=O)O)N(O)c1ccccc1.O=C=NCCCCCCN=C=O.OCCO

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.30
TSHR P16473 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
RIPK1 Q13546 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL27500132 0.78 KMT2A (0.44) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL625122 0.78 KMT2A (0.44) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL16014304 0.76
Pivalate SCHEMBL11123477 0.67 FFAR1 (0.32) CYP2C19ALDH1A1TSHRTDP1
Tert-Butanol SCHEMBL3059259 0.67 MIF (0.34) ALDH1A1TDP1
Ethylene Glycol SCHEMBL2978523 0.67 MIF (0.48)
Ethylene Glycol SCHEMBL29254250 0.67 MIF (0.48)
SCHEMBL5341441 0.67 CYP2D6 (0.34) CYP2C19TSHRTDP1
Phenol SCHEMBL4082104 0.66 CA12 (0.44) KMT2AMEN1MAOAMAOBTDP1
Toluene SCHEMBL27815423 0.66 LMNA (0.44) KMT2AMEN1MAOAMAOBCYP2C19

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
US-20160022872-A1 CELL-BASED COMPOSITIONS, CELL-BASED BANDAGE DEVICES AND SYSTEMS AND METHODS OF TREATMENT THEREWITH PITTSBURGH, UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2016-01-28 US disclosed
WO-2014138190-A1 CELL-BASED COMPOSITIONS, CELL-BASED BANDAGE DEVICES AND SYSTEMS AND METHODS OF TREATMENT THEREWITH UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-09-12 WO disclosed