SCHEMBL28817693

SCHEMBL28817693

O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1

nearest known ligand 0.91

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.91
MMP2 P08253 15/20 0.91
MMP9 P14780 15/20 0.91
SNCA P37840 1/20 0.72
BCHE P06276 1/20 0.66
ACHE P22303 1/20 0.66
ALOX15 P16050 1/20 0.64
KDM1A O60341 1/20 0.63

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
SCHEMBL28083555 1.00 MMP1 (0.91) MMP1MMP2MMP9SNCABCHE
SCHEMBL16382870 0.95 MMP1 (1.00) MMP1MMP2MMP9SNCAKDM1A
SCHEMBL108150 0.95 MMP1 (0.82) MMP1MMP2MMP9SNCABCHE
SCHEMBL18993414 0.94 MMP1 (0.81) MMP1MMP2MMP9SNCABCHE
SCHEMBL16274505 0.92 MMP1 (1.00) MMP1MMP2MMP9SNCABCHE
SCHEMBL28052109 0.92 MMP1 (1.00) MMP1MMP2MMP9SNCA
SCHEMBL28937301 0.92 MMP1 (0.78) MMP1MMP2MMP9SNCABCHE
SCHEMBL13704173 0.92 MMP1 (1.00) MMP1MMP2MMP9BCHEACHE
SCHEMBL28278692 0.90 MMP1 (0.89) MMP1MMP2MMP9SNCABCHE
SCHEMBL29419161 0.90 MMP1 (0.89) MMP1MMP2MMP9SNCABCHE

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-104557588-A Homodimer for caffeic acid and ferulic acid, and preparation method and pharmaceutical composition thereof UNIV SUN YAT SEN 2015-04-29 CN disclosed