SCHEMBL30504665

SCHEMBL30504665

COc1cc(/C=C/C(=O)C(OC)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.71
MMP13 P45452 3/20 0.71
MMP2 P08253 3/20 0.71
MMP8 P22894 2/20 0.71
CYP2D6 P10635 3/20 0.70
CYP1A2 P05177 2/20 0.70
ALOX5 P09917 2/20 0.70
NFKB1 P19838 2/20 0.70
HSD11B1 P28845 2/20 0.70
STAT3 P40763 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
NFE2L2 Q16236 2/20 0.70
APP P05067 3/20 0.68
KDM4E B2RXH2 2/20 0.68
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA3 P07451 2/20 0.68
PKM P14618 2/20 0.68

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
SCHEMBL12088589 0.87 MMP9 (0.72) MMP9MMP13MMP2MMP8CYP2D6
SCHEMBL5598941 0.87 APP (0.73) MMP9MMP13MMP2MMP8CYP2D6
SCHEMBL5598945 0.87 APP (0.73) MMP9MMP13MMP2MMP8CYP2D6
SCHEMBL29402680 0.84 MMP2 (0.78) MMP9MMP13MMP2MMP8CYP2D6
SCHEMBL2122001 0.83 MMP2 (1.00) MMP9MMP13MMP2MMP8CYP2D6
SCHEMBL19960594 0.83 MMP2 (0.76) MMP9MMP13MMP2MMP8CYP2D6
SCHEMBL1493283 0.83 CYP2D6 (1.00) MMP9MMP13CYP2D6CYP1A2ALOX5
SCHEMBL30668505 0.83 CYP2D6 (1.00) MMP9MMP13CYP2D6CYP1A2ALOX5
SCHEMBL29478095 0.83 CYP2D6 (1.00) MMP9MMP13CYP2D6CYP1A2ALOX5
SCHEMBL1493282 0.83 CYP2D6 (1.00) MMP9MMP13CYP2D6CYP1A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113208109-B High-bioavailability water-soluble curcumin and preparation method and application thereof 河南中大恒源生物科技股份有限公司 2023-08-29 CN disclosed
CN-113383881-B Liquid water-soluble curcumin and preparation method and application thereof 河南中大恒源生物科技股份有限公司 2023-08-29 CN disclosed
CN-116458598-A Color paste and preparation method and application thereof 晨光生物科技集团股份有限公司 2023-07-21 CN disclosed