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Capsicodendrin

Capsicodendrin

SCHEMBL29726673

CC(=O)O[C@@H]1C=C(C2O[C@@H]3OC(O)C4=C[C@@H](OC(C)=O)[C@H]5C(C)(C)CCC[C@]5(C)[C@]43O2)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12

nearest known ligand 0.39

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 3/20 0.39
▸ EDNRA P25101 2/20 0.39
▸ NFKB1 P19838 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33

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
Capsicodendrin SCHEMBL21026188 1.00 EDNRB (0.39) EDNRBEDNRANFKB1STAT1NFKB2
SCHEMBL21025572 0.91 EDNRB (0.37) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamodial SCHEMBL15557354 0.74 EDNRB (0.41) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamodial SCHEMBL20462860 0.74 EDNRB (0.41) EDNRBEDNRANFKB1STAT1NFKB2
SCHEMBL21025894 0.72 EDNRB (0.47) EDNRBEDNRANFKB1STAT1NFKB2
SCHEMBL21025698 0.64 EDNRB (0.44) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamosmolide SCHEMBL15557098 0.62 NFKB1 (0.43) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamosmolide SCHEMBL21025700 0.62 NFKB1 (0.43) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamosmolide SCHEMBL21025897 0.62 NFKB1 (0.43) EDNRBEDNRANFKB1STAT1NFKB2
Cinnamosmolide SCHEMBL21025571 0.62 NFKB1 (0.43) EDNRBEDNRANFKB1STAT1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357340-B1 AN ECOLOGICAL AGRICULTURAL SOIL DISINFECTANT COMPOSITION COMPRISING A MIXTURE OF CAPSICUM EXTRACT, MARIGOLD EXTRACT AND GARLIC EXTRACT BIOPHARMA RES S A (ES) 2022-06-22 — — EP disclosed
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