SCHEMBL3417217

SCHEMBL3417217

COc1ccc(C(OCc2c[c]cc(CO)c2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
KCNH2 Q12809 1/20 0.37
PLAU P00749 1/20 0.37
ELANE P08246 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL12539335 0.86 RAB9A (0.43) KIF11SLC6A1SLC6A11KCNH2PLAU
SCHEMBL3862154 0.84 LTA4H (0.45) KIF11KMT2ASLC6A1SLC6A11KCNH2
SCHEMBL19463046 0.82 KIF11 (0.43) KIF11SLC6A1SLC6A11KCNH2
SCHEMBL16618219 0.82 CYP1A2 (0.38) KIF11KMT2ASLC6A1SLC6A11KCNH2
SCHEMBL19689391 0.82 KIF11 (0.38) KIF11SLC6A1SLC6A11KCNH2PLAU
SCHEMBL2367563 0.82 BACE1 (0.42) KIF11KMT2ASLC6A1SLC6A11HTT
SCHEMBL19463717 0.82 KIF11 (0.36) KIF11SLC6A1SLC6A11KCNH2PLAU
SCHEMBL18102358 0.80 SLC6A1 (0.38) KIF11KMT2ASLC6A1SLC6A11KCNH2
SCHEMBL28241152 0.79 LTA4H (0.52) KIF11SLC6A1SLC6A11KCNH2PLAU
Hydrochloric Acid SCHEMBL30186367 0.78 LTA4H (0.50) KIF11SLC6A1SLC6A11KCNH2PLAU

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
WO-2010055789-A1 OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT, AND USE OF THE LABELING AGENT 独立行政法人科学技術振興機構 (JP) 2010-05-20 WO disclosed