SCHEMBL7090463

SCHEMBL7090463

COc1ccc(C(OCCOCCOCCOCCOCCOCCN)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.60
KCNH2 Q12809 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
SLC6A1 P30531 2/20 0.44
SLC6A11 P48066 1/20 0.44
TK2 O00142 2/20 0.41
DUT P33316 1/20 0.40

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
SCHEMBL24172659 1.00 KIF11 (0.60) KIF11KCNH2SMN1; SMN2SLC6A1SLC6A11
SCHEMBL3617308 0.91 KIF11 (0.73) KIF11KCNH2SMN1; SMN2SLC6A1SLC6A11
SCHEMBL2490823 0.91 KIF11 (0.73) KIF11KCNH2SMN1; SMN2SLC6A1SLC6A11
SCHEMBL13671082 0.87 KIF11 (0.78) KIF11SMN1; SMN2TK2DUT
SCHEMBL4454297 0.87 KIF11 (0.78) KIF11SMN1; SMN2TK2DUT
SCHEMBL11913616 0.87 KIF11 (0.78) KIF11SMN1; SMN2TK2DUT
SCHEMBL28661706 0.87 KIF11 (0.78) KIF11SMN1; SMN2TK2DUT
SCHEMBL2385290 0.85 SLC6A11 (0.46) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL21574354 0.85 SLC6A11 (0.46) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL6040158 0.85 SLC6A11 (0.46) KIF11KCNH2SLC6A1SLC6A11TK2

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
EP-0833940-B1 ENCODED REACTION CASSETTE SCRIPPS RESEARCH INST (US) 2003-08-06 EP disclosed