SCHEMBL16656152

SCHEMBL16656152

O=C1OCC(=C/c2ccc3c(c2)OCO3)/C1=C\c1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.62
DYRK2 Q92630 3/20 0.62
DYRK1B Q9Y463 3/20 0.62
MAPT P10636 9/20 0.60
ALDH1A1 P00352 9/20 0.60
KMT2A Q03164 6/20 0.60
TDP1 Q9NUW8 4/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 3/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PIM1 P11309 2/20 0.50
CSNK2A1 P68400 2/20 0.50
ADAM17 P78536 1/20 0.50
PIM3 Q86V86 1/20 0.50
BRSK1 Q8TDC3 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL31237283 1.00 DYRK1A (0.62) DYRK1ADYRK2DYRK1BMAPTALDH1A1
SCHEMBL29577825 1.00 DYRK1A (0.62) DYRK1ADYRK2DYRK1BMAPTALDH1A1
SCHEMBL13642233 0.89 DYRK1A (0.61) DYRK1ADYRK2DYRK1BMAPTALDH1A1
SCHEMBL16656153 0.87 MAOB (0.54) DYRK1ADYRK2DYRK1BMAPTALDH1A1
SCHEMBL7005392 0.86 ALDH1A1 (0.60) DYRK1ADYRK2DYRK1BMAPTALDH1A1
SCHEMBL25843203 0.77 MAOB (0.68) MAPTALDH1A1KMT2ATDP1LMNA
SCHEMBL11501581 0.77 MAPT (0.75) DYRK1ADYRK2DYRK1BMAPTALDH1A1
SCHEMBL9566898 0.77 DYRK1A (1.00) DYRK1ADYRK2DYRK1BMAPTALDH1A1
SCHEMBL11501580 0.77 MAPT (0.75) DYRK1ADYRK2DYRK1BMAPTALDH1A1
SCHEMBL9786539 0.76 DYRK1A (0.62) DYRK1ADYRK2DYRK1BMAPTALDH1A1

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-9011925-B2 Method for preparing polysaccharide nanocomposite particles and uses of the same CHINA MEDICAL UNIVERSITY (TW) 2015-04-21 US disclosed