1,6-Hexanediol

1,6-Hexanediol

SCHEMBL28253995

O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1.OCCCCCCO.OCCO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 2/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
POLB P06746 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ACE2 Q9BYF1 2/20 0.42
MYC P01106 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
PTPN11 Q06124 2/20 0.40
APEX1 P27695 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PTPN1 P18031 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CA4 P22748 1/20 0.39

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
1,5-Pentanediol SCHEMBL30777617 0.98 KDM4E (0.55) KDM4EHSD17B10CDC25ACDC25BPOLB
1,6-Hexanediol SCHEMBL27818809 0.98 KDM4E (0.55) KDM4EHSD17B10CDC25ACDC25BPOLB
1,4-Butanediol SCHEMBL29854145 0.96 KDM4E (0.56) KDM4EHSD17B10CDC25ACDC25BPOLB
1,4-Butanediol SCHEMBL29185198 0.96 KDM4E (0.56) KDM4EHSD17B10CDC25ACDC25BPOLB
Ethylene Glycol SCHEMBL29027475 0.92 KDM4E (0.60) KDM4EHSD17B10CDC25ACDC25BPOLB
Ethylene Glycol SCHEMBL3107860 0.92 KDM4E (0.60) KDM4EHSD17B10CDC25ACDC25BPOLB
Ethylene Glycol SCHEMBL3621691 0.92 KDM4E (0.60) KDM4EHSD17B10CDC25ACDC25BPOLB
Ethylene Glycol SCHEMBL8680442 0.92 KDM4E (0.60) KDM4EHSD17B10CDC25ACDC25BPOLB
Ethylene Glycol SCHEMBL29410653 0.92 KDM4E (0.60) KDM4EHSD17B10CDC25ACDC25BPOLB
Ethylene Glycol SCHEMBL31229853 0.90 KDM4E (0.58) KDM4EHSD17B10CDC25ACDC25BPOLB

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-108778650-A Cover plate for drilling and drilling method using same 三菱瓦斯化学株式会社 2018-11-09 CN disclosed