SCHEMBL7723488

SCHEMBL7723488

COc1ccc(C(OCC(O)CCCCOC(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
SLC6A1 P30531 2/20 0.42
SLC6A11 P48066 1/20 0.42
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 3/20 0.41
KIF11 P52732 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
TK1 P04183 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20742093 0.87 ADRB2 (0.52) ADRB2ADRB1ADRB3KIF11MEN1
SCHEMBL20742091 0.87 ADRB2 (0.52) ADRB2ADRB1ADRB3KIF11MEN1
SCHEMBL7721078 0.84 TBXAS1 (0.44) TDP1SLC6A1SLC6A11ADRB2ADRB1
SCHEMBL18349848 0.82 TK1 (0.43) SLC6A1SLC6A11KIF11MEN1KMT2A
SCHEMBL13160566 0.81 KIF11 (0.52) SLC6A1SLC6A11KIF11TK1
SCHEMBL16357986 0.81 TK1 (0.42) SLC6A1SLC6A11KIF11MEN1KMT2A
SCHEMBL16179079 0.80 MEN1 (0.53) TDP1ADRB2ADRB1ADRB3MEN1
SCHEMBL16179080 0.80 MEN1 (0.53) TDP1ADRB2ADRB1ADRB3MEN1
SCHEMBL14286698 0.80 KIF11 (0.51) SLC6A1SLC6A11KIF11TK1
SCHEMBL6642327 0.80 SLC6A11 (0.39) SLC6A1SLC6A11KIF11MEN1KMT2A

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