SCHEMBL7721078

SCHEMBL7721078

COc1ccc(C(OCC(CCCCOC(=O)c2ccccc2)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.44
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
BCHE P06276 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC2 Q92769 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL7723488 0.84 TDP1 (0.47) TDP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7721075 0.84 AOC3 (0.40) TBXAS1TDP1NPC1RAB9ASLC6A1
SCHEMBL8328095 0.78 MEN1 (0.42) TDP1NPC1RAB9AMAPTSLC6A1
SCHEMBL24763738 0.78 CHRM3 (0.41) TBXAS1TDP1SLC6A1SLC6A11
SCHEMBL8330752 0.76 SLC6A1 (0.37) TDP1NPC1RAB9AMAPTSLC6A1
SCHEMBL20742091 0.75 ADRB2 (0.52) MAPTKMT2AADRB2ADRB1ADRB3
SCHEMBL20742093 0.75 ADRB2 (0.52) MAPTKMT2AADRB2ADRB1ADRB3
SCHEMBL30866255 0.75 PLA2G2A (0.48) TBXAS1TDP1SLC6A1
SCHEMBL30866257 0.75 PLA2G2A (0.48) TBXAS1TDP1SLC6A1
SCHEMBL25764010 0.73 PLA2G2A (0.42)

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-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