SCHEMBL13183271

SCHEMBL13183271

BCCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 5/20 0.45
SLC6A1 P30531 2/20 0.45
KIF11 P52732 3/20 0.43
KCNH2 Q12809 1/20 0.43
TK2 O00142 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A12 P48065 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DUT P33316 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
SCHEMBL21574354 0.89 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL6570212 0.86 SLC6A11 (0.47) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL24172659 0.83 KIF11 (0.60) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL2385290 0.83 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL6040158 0.83 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL7090463 0.83 KIF11 (0.60) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL13575115 0.83 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL2400336 0.83 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL2288433 0.80 SLC6A11 (0.43) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL13160251 0.80 SLC6A11 (0.42) SLC6A11SLC6A1KIF11KCNH2TK2

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
US-7799524-B2 Substrates for O6-alkylguanina-DNA alkyltransferase Ecole Polytechnique Ferdeale de Lausanne (CH) 2010-09-21 US disclosed