Dioxane

Dioxane

SCHEMBL10975415

C1COCCO1.CCC(=O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.62
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HTT P42858 2/20 0.38
TTR P02766 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.33

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
Propionic Acid SCHEMBL28314256 0.97
Propionic Acid SCHEMBL28145772 0.88 FFAR3 (0.56) FFAR3HSD17B10TSHRGLAHDAC3
Tetrahydrofuran SCHEMBL27415023 0.88 FFAR3 (0.56) FFAR3HSD17B10TSHRGLAHDAC3
Propionic Acid SCHEMBL3209217 0.88 FFAR3 (0.56) FFAR3HSD17B10TSHRSMN1; SMN2GLA
Propionic Acid SCHEMBL10988313 0.83 FFAR3 (0.91) FFAR3HSD17B10TSHRHDAC3HDAC1
Propionic Acid SCHEMBL7619442 0.83 FFAR3 (0.91) FFAR3HSD17B10TSHRHDAC3HDAC1
Propionic Acid SCHEMBL236477 0.83
Morpholine SCHEMBL21145317 0.82 KMT2A (0.50) FFAR3HSD17B10TSHRGLAHDAC3
Dioxane SCHEMBL11782030 0.81 TDP1 (0.62) FFAR3HSD17B10TSHRSMN1; SMN2HTT
Dioxane SCHEMBL2962462 0.81 ALDH1A1 (0.62) FFAR3HSD17B10TSHRSMN1; SMN2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102002055-B Clean synthesis method of 3, 4-ethylenedioxythiophene XZL BIO TECHNOLOGY CO LTD 2012-05-09 CN disclosed
CN-102002055-A Clean synthesis method for 3,4-ethylenedioxythiophene XZL BIO TECHNOLOGY CO LTD 2011-04-06 CN disclosed
EP-0074259-B1 CATALYTIC EPOXIDATION OF OLEFINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-07-17 EP disclosed
US-4476314-A Process for producing olefin oxides MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1984-10-09 US disclosed
EP-0074259-A1 Catalytic epoxidation of olefins MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-03-16 EP disclosed