SCHEMBL30568670

SCHEMBL30568670

COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.82
MAPT P10636 2/20 0.82
KDM1A O60341 13/20 0.74
CXCL12 P48061 1/20 0.65
TRPV1 Q8NER1 1/20 0.65
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60

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
SCHEMBL2261247 0.91 TP53 (0.82) TP53MAPTKDM1ATRPV1HDAC3
SCHEMBL2261250 0.91 TP53 (0.82) TP53MAPTKDM1ATRPV1HDAC3
SCHEMBL30568725 0.88 KDM1A (0.81) TP53MAPTKDM1ACXCL12TRPV1
SCHEMBL30568744 0.86 KDM1A (0.79) TP53MAPTKDM1ATRPV1BCHE
SCHEMBL2261783 0.85 MAPT (0.85) TP53MAPTTRPV1HDAC3HDAC4
SCHEMBL2261787 0.85 MAPT (0.85) TP53MAPTTRPV1HDAC3HDAC4
SCHEMBL30568635 0.85 KDM1A (0.76) TP53MAPTKDM1ATRPV1HDAC6
SCHEMBL2265640 0.84 TP53 (0.72) TP53MAPTKDM1ATRPV1BCHE
SCHEMBL2265647 0.84 TP53 (0.72) TP53MAPTKDM1ATRPV1BCHE
SCHEMBL30568701 0.84 KDM1A (0.76) TP53MAPTKDM1ATRPV1HDAC3

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-109369594-B Myricetin derivative containing ferulic acid amide, and preparation method and application thereof 贵州大学 2023-08-22 CN disclosed