SCHEMBL13446382

SCHEMBL13446382

COc1cc(/C=C/C(O)=C/C(=O)/C=C\c2ccc(O)c(CO)c2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.74
MMP9 P14780 3/20 0.74
NFKB1 P19838 3/20 0.74
MMP8 P22894 2/20 0.74
GSK3B P49841 3/20 0.72
BACE1 P56817 3/20 0.72
MMP13 P45452 2/20 0.65
CYP2D6 P10635 3/20 0.65
CYP1A2 P05177 2/20 0.65
ALOX5 P09917 2/20 0.65
HSD11B1 P28845 2/20 0.65
STAT3 P40763 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
NFE2L2 Q16236 2/20 0.65
GLO1 Q04760 2/20 0.64
HDAC1 Q13547 4/20 0.64
HDAC2 Q92769 4/20 0.64
HDAC8 Q9BY41 4/20 0.64
KDM4E B2RXH2 2/20 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
SCHEMBL11928819 1.00 MMP2 (0.74) MMP2MMP9NFKB1MMP8GSK3B
SCHEMBL4544307 1.00 MMP2 (0.74) MMP2MMP9NFKB1MMP8GSK3B
SCHEMBL13358175 0.94 GSK3B (0.71) MMP2MMP9NFKB1MMP8GSK3B
SCHEMBL16884580 0.94 GSK3B (0.71) MMP2MMP9NFKB1MMP8GSK3B
SCHEMBL12291341 0.92 GSK3B (0.65) MMP2MMP9NFKB1MMP8GSK3B
SCHEMBL13324431 0.91 NFKB1 (0.83) MMP2MMP9NFKB1MMP8GSK3B
SCHEMBL6727006 0.90 GSK3B (0.87) MMP9NFKB1GSK3BBACE1MMP13
SCHEMBL3433171 0.90 GSK3B (0.87) MMP9NFKB1GSK3BBACE1MMP13
SCHEMBL242412 0.90 GSK3B (0.87) MMP9NFKB1GSK3BBACE1MMP13
SCHEMBL3680675 0.90 GSK3B (0.87) MMP9NFKB1GSK3BBACE1MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7682636-B2 Curcuminoid compositions exhibiting synergistic inhibition of the expression and/or activity of cyclooxygenase-2 METAPROTEOMICS, LLC (US) 2010-03-23 US disclosed
US-20070141183-A1 Curcuminoid compositions exhibiting synergistic inhibition of the expression and/or activity of cyclooxygenase-2 METAPROTEOMICS, LLC (CA) 2007-06-21 US disclosed