Di(Hydroxyethyl)Ether

Di(Hydroxyethyl)Ether

SCHEMBL9469008

CC(O)Oc1ccc(C(C)(C)c2ccc(OC(C)O)cc2)cc1.OCCOCCO

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 2/20 0.41
HTT P42858 3/20 0.40
HIF1A Q16665 2/20 0.40
KDM4E B2RXH2 6/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
RORC P51449 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
HPGD P15428 3/20 0.34
TSHR P16473 3/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL17787258 0.89 SMN1; SMN2 (0.54) ARSMN1; SMN2CYP3A4HTTHIF1A
SCHEMBL333514 0.86 HIF1A (0.45) ARSMN1; SMN2CYP3A4HTTHIF1A
SCHEMBL1402289 0.84 AR (0.46) ARSMN1; SMN2CYP3A4HTTHIF1A
SCHEMBL6515056 0.80 ALDH1A1 (0.52) SMN1; SMN2CYP3A4HTTHIF1AKDM4E
SCHEMBL9457222 0.80 ESR1 (0.59) ARCYP3A4HTTHIF1AKDM4E
SCHEMBL16378880 0.80 TAS1R3 (0.43) ARCYP3A4HTTHIF1AKMT2A
Di(Hydroxyethyl)Ether SCHEMBL9469009 0.80 SMN1; SMN2 (0.62) ARSMN1; SMN2CYP3A4HTTHIF1A
SCHEMBL3875327 0.79 KMT2A (0.47) ARSMN1; SMN2CYP3A4HTTHIF1A
SCHEMBL4612178 0.79 SMN1; SMN2 (0.41) ARSMN1; SMN2CYP3A4HTTHIF1A
SCHEMBL5457352 0.78 SMN1; SMN2 (0.56) ARSMN1; SMN2CYP3A4HTTHIF1A

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
US-5270383-A Preparation of aqueous polyurethane dispersions BASF AKTIENGESELLSCHAFT (DE) 1993-12-14 US disclosed