SCHEMBL28047873

SCHEMBL28047873

COCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.82
MAPT P10636 6/20 0.82
BACE1 P56817 4/20 0.82
NFKB1 P19838 3/20 0.82
MMP9 P14780 3/20 0.82
CYP2D6 P10635 2/20 0.82
CYP2C9 P11712 2/20 0.82
TSHR P16473 2/20 0.82
HSD17B10 Q99714 2/20 0.82
ABCB1 P08183 2/20 0.82
AKR1B1 P15121 2/20 0.82
MAOA P21397 2/20 0.82
MAOB P27338 2/20 0.82
HDAC3 O15379 2/20 0.82
HDAC1 Q13547 2/20 0.82
HDAC2 Q92769 2/20 0.82
HDAC6 Q9UBN7 2/20 0.82
TOP2A P11388 2/20 0.82
ALOX5 P09917 2/20 0.82
STAT3 P40763 2/20 0.82

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
SCHEMBL31206160 1.00 APP (0.82) APPMAPTBACE1NFKB1MMP9
SCHEMBL2385200 1.00 APP (0.82) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL29358937 0.90 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL17629819 0.90 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL29355906 0.90 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL8440 0.90 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL17629818 0.90 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL8336603 0.90 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL2804734 0.90 APP (1.00) APPMAPTBACE1NFKB1MMP9
Curcumin SCHEMBL6901740 0.90 APP (1.00) APPMAPTBACE1NFKB1MMP9

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
CN-114786700-A Curcuminoid-free turmeric extract for inflammatory skin diseases 皮埃尔·法布尔皮肤化妆品公司 2022-07-22 CN disclosed
CN-105116061-A Method for calculating contents of three effective components in curcuma longa product through relative correction factor SICHUAN NEO GREEN PHARMACEUTICAL CO LTD 2015-12-02 CN disclosed