Butoxyethanol

Butoxyethanol

SCHEMBL11337804

C=CC(N)=O.CCCCOCCO

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.63
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.48
ALDH1A1 P00352 4/20 0.41
FGFR4 P22455 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.39
ATM Q13315 1/20 0.38
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
ACHE P22303 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36

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
Acrylamide SCHEMBL5798455 0.92 TSHR (0.55) TSHRMAPTMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL9306495 0.87 TSHR (0.65) TSHRMAPTMEN1KMT2ATHRB
Acrylamide SCHEMBL8590098 0.87 TSHR (0.50) TSHRMAPTMEN1KMT2ATHRB
Triethylene Glycol SCHEMBL27511069 0.86 MEN1 (0.50) TSHRMAPTMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL28902597 0.86 TSHR (0.55) TSHRMAPTMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL28546498 0.86 TSHR (0.55) TSHRMAPTMEN1KMT2ATHRB
Acrylic Acid SCHEMBL28118686 0.85 TSHR (0.63) TSHRMAPTMEN1KMT2ATHRB
Triethylene Glycol SCHEMBL2819414 0.85 TSHR (0.63) TSHRMAPTMEN1KMT2ATHRB
Pentaethylene Glycol SCHEMBL617370 0.84 TSHR (0.52) TSHRMAPTMEN1KMT2ATHRB
Triethylene Glycol SCHEMBL3199640 0.84 TSHR (0.52) TSHRMAPTMEN1KMT2ATHRB

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-4305859-A THERMOSETTING ENAMELS CANADIAN INDUSTRIES LIMITED (CA) 1981-12-15 US disclosed