SCHEMBL9256875

SCHEMBL9256875

CC1CC(=Cc2ccc3c(c2)OCO3)C(=O)O1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.67
DYRK1B Q9Y463 6/20 0.67
DYRK2 Q92630 4/20 0.67
PIK3CA P42336 1/20 0.67
CLK1 P49759 2/20 0.57
ALDH1A1 P00352 11/20 0.56
MAPT P10636 9/20 0.56
TDP1 Q9NUW8 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 5/20 0.50
ADAM17 P78536 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
SCHEMBL9256871 1.00 DYRK1A (0.67) DYRK1ADYRK1BDYRK2PIK3CACLK1
SCHEMBL981312 0.76 DYRK1A (0.69) DYRK1ADYRK1BDYRK2PIK3CACLK1
SCHEMBL10896573 0.74 DYRK2 (0.54) DYRK1ADYRK1BDYRK2CLK1ALDH1A1
SCHEMBL9566898 0.74 DYRK1A (1.00) DYRK1ADYRK1BDYRK2CLK1ALDH1A1
SCHEMBL11501954 0.73 ALDH1A1 (0.65) DYRK1ADYRK1BDYRK2CLK1ALDH1A1
SCHEMBL11501952 0.73 ALDH1A1 (0.65) DYRK1ADYRK1BDYRK2CLK1ALDH1A1
SCHEMBL31237283 0.72 DYRK1A (0.62) DYRK1ADYRK1BDYRK2ALDH1A1MAPT
SCHEMBL29577825 0.72 DYRK1A (0.62) DYRK1ADYRK1BDYRK2ALDH1A1MAPT
SCHEMBL16656152 0.72 DYRK1A (0.62) DYRK1ADYRK1BDYRK2ALDH1A1MAPT
SCHEMBL9786539 0.72 DYRK1A (0.62) DYRK1ADYRK1BDYRK2ALDH1A1MAPT

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-5416224-A Reaction of acetyldihydro-2-(3H)-furanone with aldehyde and alkali metal hydroxide HENKEL CORPORATION (US) 1995-05-16 US disclosed