SCHEMBL30568635

SCHEMBL30568635

COc1cc(/C=C/C(=O)Nc2cccc(Cl)c2)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.76
MMP1 P03956 5/20 0.74
MMP2 P08253 5/20 0.74
MMP9 P14780 5/20 0.74
MAOB P27338 4/20 0.68
MAOA P21397 3/20 0.66
BCHE P06276 1/20 0.65
ACHE P22303 1/20 0.65
EGFR P00533 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NPC1 O15118 1/20 0.61
STAT1 P42224 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TRPV1 Q8NER1 2/20 0.61
HDAC6 Q9UBN7 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61

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
SCHEMBL2260011 0.91 MMP1 (0.74) KDM1AMMP1MMP2MMP9MAOB
SCHEMBL2260007 0.91 MMP1 (0.74) KDM1AMMP1MMP2MMP9MAOB
SCHEMBL9676377 0.88 MMP1 (0.67) KDM1AMMP1MMP2MMP9MAOB
SCHEMBL30568725 0.87 KDM1A (0.81) KDM1AMMP1MMP2MMP9BCHE
SCHEMBL30568692 0.87 KDM1A (1.00) KDM1AMMP1MMP2MMP9MAOB
SCHEMBL2261691 0.86 MMP1 (0.60) KDM1AMMP1MMP2MMP9MAOB
SCHEMBL2261699 0.86 MMP1 (0.60) KDM1AMMP1MMP2MMP9MAOB
SCHEMBL30568670 0.85 TP53 (0.82) KDM1ABCHEACHETRPV1HDAC6
SCHEMBL2359875 0.84 MEN1 (0.63) KDM1AMMP1MMP2MMP9MAOB
SCHEMBL20538415 0.84 KDM1A (0.73) KDM1AMMP1MMP2MMP9MAOB

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