SCHEMBL6440499

SCHEMBL6440499

COc1cc(C=CC(=O)C=C(O)C=Cc2cc(O)c(O)c(OC)c2)cc(O)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 2/20 0.70
CYP1A2 P05177 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2B6 P20813 1/20 0.67
GSK3B P49841 4/20 0.66
BACE1 P56817 4/20 0.66
ALOX5 P09917 4/20 0.62
STAT3 P40763 3/20 0.62
NFE2L2 Q16236 3/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
PKM P14618 2/20 0.60
PTGS1 P23219 2/20 0.60
PTGS2 P35354 1/20 0.60
HDAC1 Q13547 4/20 0.59
HDAC2 Q92769 4/20 0.59
HDAC8 Q9BY41 4/20 0.59

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
SCHEMBL6440492 1.00 JUN (0.70) JUNCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL7051812 0.90 JUN (0.59) JUNCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6441910 0.86 BACE1 (0.62) JUNCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6440618 0.86 BACE1 (0.62) JUNCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL242412 0.85 GSK3B (0.87) JUNCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL6727006 0.85 GSK3B (0.87) JUNCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL3680675 0.85 GSK3B (0.87) JUNCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL3433171 0.85 GSK3B (0.87) JUNCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL29855588 0.85 GSK3B (0.87) JUNCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL608770 0.85 BACE1 (0.70) JUNCYP1A2CYP2D6GSK3BBACE1

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-6900356-B2 Polyhydroxy curcumins having antioxidant activity LAILA IMPEX (IN) 2005-05-31 US claimed
US-6900356-B2 Polyhydroxy curcumins having antioxidant activity LAILA IMPEX (IN) 2005-05-31 US disclosed