Di(Hydroxyethyl)Ether

Di(Hydroxyethyl)Ether

SCHEMBL28201339

CCO.OCC(O)CO.OCCOCCO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Di(Hydroxyethyl)Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 3/20 0.47
THRB P10828 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 2/20 0.31
KDM4E B2RXH2 1/20 0.31
AGTR1 P30556 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
Di(Hydroxyethyl)Ether SCHEMBL1616901 0.92 TSHR (0.62) TSHRMAPK1ALDH1A1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL27602303 0.92 TSHR (0.62) TSHRMAPK1ALDH1A1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL28517387 0.90 ALDH1A1 (0.59) TSHRMAPK1ALDH1A1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL27903400 0.90 TSHR (0.53) TSHRMAPK1ALDH1A1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL6658442 0.89 TSHR (0.59) TSHRMAPK1ALDH1A1MEN1KMT2A
Triethylene Glycol SCHEMBL21081708 0.89 MEN1 (0.65) TSHRMAPK1ALDH1A1MEN1KMT2A
Triethylene Glycol SCHEMBL618788 0.89 MEN1 (0.65) TSHRMAPK1ALDH1A1MEN1KMT2A
Tetraethylene Glycol SCHEMBL617711 0.89 MEN1 (0.65) TSHRMAPK1ALDH1A1MEN1KMT2A
Pentaethylene Glycol SCHEMBL6681000 0.89 MEN1 (0.65) TSHRMAPK1ALDH1A1MEN1KMT2A
Hexaethylene Glycol SCHEMBL11352521 0.89 MEN1 (0.65) TSHRMAPK1ALDH1A1MEN1KMT2A

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
CN-107735488-A Low solvent liquid detergent composition 宝洁公司 2018-02-23 CN disclosed