Anisaldehyde

Anisaldehyde

SCHEMBL28290436

COc1ccc(C=O)cc1.O=Cc1ccc2c(c1)CCO2

nearest known ligand 0.54

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP2A6 P11509 1/20 0.54
GPR183 P32249 1/20 0.52
DYRK1A Q13627 7/20 0.49
DYRK1B Q9Y463 7/20 0.49
DYRK2 Q92630 3/20 0.49
ERN1 O75460 2/20 0.48
MAPT P10636 2/20 0.47
PIK3CA P42336 1/20 0.45
RAB9A P51151 1/20 0.45
GSK3B P49841 1/20 0.43
CLK1 P49759 4/20 0.43
TRPV1 Q8NER1 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CLK2 P49760 1/20 0.42

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
SCHEMBL339129 0.86 DYRK1A (0.61) ALDH1A1DYRK1ADYRK1BDYRK2ERN1
Hydrochloric Acid SCHEMBL8556369 0.83 DYRK1A (0.58) ALDH1A1DYRK1ADYRK1BDYRK2ERN1
Hydrochloric Acid SCHEMBL8556367 0.83 DYRK1A (0.58) ALDH1A1DYRK1ADYRK1BDYRK2ERN1
SCHEMBL3716710 0.80 GSK3B (0.48) ALDH1A1GPR183DYRK1AERN1MAPT
SCHEMBL29845506 0.80 GSK3B (0.48) ALDH1A1GPR183DYRK1AERN1MAPT
Anisaldehyde SCHEMBL6846902 0.79 ALDH1A1 (0.58) ALDH1A1CYP2A6MAPTRAB9AMEN1
Piperonal SCHEMBL20184609 0.78 ALDH1A1 (0.72) ALDH1A1CYP2A6DYRK1ADYRK1BDYRK2
SCHEMBL30679660 0.77 ERN1 (0.64) ALDH1A1DYRK1ADYRK1BDYRK2ERN1
SCHEMBL29957044 0.77 DYRK1A (0.61) ALDH1A1DYRK1ADYRK1BDYRK2ERN1
SCHEMBL3328614 0.77 DYRK1A (0.61) ALDH1A1DYRK1ADYRK1BDYRK2ERN1

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
CN-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN disclosed