Dioxane

Dioxane

SCHEMBL4767152

C1COCCO1.CCC(C)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
TTR P02766 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 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
Dioxane SCHEMBL1477531 0.97 TSHR (0.59) TSHRTTRTDP1ALDH1A1USP2
Tetrahydrofuran SCHEMBL23711833 0.88 TSHR (0.56) TSHRTDP1ALDH1A1USP2PKM
Butanol SCHEMBL28313456 0.88
Dioxane SCHEMBL28118854 0.84 TTR (0.40) TSHRTTRUSP2SMN1; SMN2
Morpholine SCHEMBL28604861 0.82 MEN1 (0.50) TSHRGAAMEN1KMT2A
Dioxane SCHEMBL28127315 0.81 TDP1 (0.62) TSHRTTRTDP1ALDH1A1USP2
Oxirane SCHEMBL27471704 0.80
Dioxane SCHEMBL4414289 0.79 ALDH1A1 (0.50) TTRALDH1A1USP2MEN1KMT2A
Butanol SCHEMBL55049 0.79
Butanol SCHEMBL1418 0.79

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
EP-1942892-A1 SOLID DISPERSIONS OF OPIOID ANTAGONISTS Adolor Corporation (US) 2008-07-16 EP disclosed
WO-2007044713-A1 SOLID DISPERSIONS OF OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2007-04-19 WO disclosed