SCHEMBL7721075

SCHEMBL7721075

COc1ccc(C(OCC(CCCCO)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
HDAC2 Q92769 2/20 0.38
KIF11 P52732 5/20 0.37
SLC6A1 P30531 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A11 P48066 1/20 0.37
CHRM3 P20309 2/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL24763738 0.85 CHRM3 (0.41) AOC3KIF11SLC6A1SLC6A11CHRM3
SCHEMBL7721078 0.84 TBXAS1 (0.44) HDAC2SLC6A1NPC1RAB9ASLC6A11
SCHEMBL8328095 0.81 MEN1 (0.42) KIF11SLC6A1NPC1RAB9ASLC6A11
SCHEMBL25764010 0.80 PLA2G2A (0.42)
SCHEMBL11514617 0.80 TSHR (0.49) AOC3HDAC2NPC1RAB9AHDAC6
SCHEMBL13460348 0.79 CHRM3 (0.42) SLC6A1SLC6A11CHRM3TBXAS1TDP1
SCHEMBL13377805 0.79 CHRM3 (0.42) SLC6A1SLC6A11CHRM3TBXAS1TDP1
SCHEMBL15892826 0.79 KIF11 (0.43) KIF11
SCHEMBL14587572 0.79 TBXAS1 (0.49) AOC3LTA4HEPHX2TBXAS1TDP1
SCHEMBL8004769 0.78 AOC3 (0.37) AOC3KIF11NPC1RAB9ACHRM3

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
EP-0739351-B1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-04-10 EP disclosed
US-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
EP-0739351-A4 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 1998-10-21 EP disclosed
EP-0739351-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018820-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed