SCHEMBL29642906

SCHEMBL29642906

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.77
NFKB1 P19838 3/20 0.77
CYP1A2 P05177 2/20 0.77
ALOX5 P09917 2/20 0.77
HSD11B1 P28845 2/20 0.77
STAT3 P40763 2/20 0.77
NFKB2 Q00653 2/20 0.77
RELA Q04206 2/20 0.77
NFE2L2 Q16236 2/20 0.77
GLO1 Q04760 4/20 0.76
ABL1 P00519 1/20 0.76
SNCA P37840 4/20 0.74
APP P05067 3/20 0.74
KDM4E B2RXH2 2/20 0.74
CA12 O43570 2/20 0.74
CA1 P00915 2/20 0.74
CA2 P00918 2/20 0.74
CA3 P07451 2/20 0.74
PKM P14618 2/20 0.74
CA4 P22748 2/20 0.74

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
SCHEMBL31621191 0.97 CYP2D6 (0.77) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL30192607 0.92 CYP2D6 (0.70) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL1493283 0.87 CYP2D6 (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL29478095 0.87 CYP2D6 (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL1493282 0.87 CYP2D6 (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL30668505 0.87 CYP2D6 (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL30880441 0.85 KDM4E (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL1908219 0.85 KDM4E (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL1703377 0.85 KDM4E (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Dehydrozingerone SCHEMBL498223 0.85 APP (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1

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-114591929-A Curcuma wenyujin-derived curcumin synthetase, gene, vector, engineering bacterium and application 杭州师范大学 2022-06-07 CN claimed
CN-114591929-A Curcuma wenyujin-derived curcumin synthetase, gene, vector, engineering bacterium and application 杭州师范大学 2022-06-07 CN disclosed