SCHEMBL29416748

SCHEMBL29416748

O=C(/C=C/c1ccc(O)c(O)c1)c1cc(OCCN2CCOCC2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.60
▸ BCHE P06276 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ KEAP1 Q14145 2/20 0.52
▸ NFE2L2 Q16236 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL28685577 1.00 MAOB (0.60) MAOBBCHEACHEKEAP1NFE2L2
SCHEMBL29416632 0.95 MAOB (0.61) MAOBBCHEACHEKEAP1NFE2L2
SCHEMBL28932598 0.95 MAOB (0.61) MAOBBCHEACHEKEAP1NFE2L2
SCHEMBL28695564 0.93 MAOB (0.71) MAOBBCHEACHEKEAP1NFE2L2
SCHEMBL29416705 0.93 MAOB (0.71) MAOBBCHEACHEKEAP1NFE2L2
SCHEMBL28701635 0.91 MAOB (0.73) MAOBBCHEACHE
SCHEMBL29416618 0.91 MAOB (0.73) MAOBBCHEACHE
SCHEMBL29416758 0.88 MAOB (0.71) MAOBBCHEACHEKEAP1NFE2L2
SCHEMBL28684813 0.88 MAOB (0.71) MAOBBCHEACHEKEAP1NFE2L2
SCHEMBL29416672 0.85 MAOB (0.74) MAOBBCHEACHE

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-114105753-A Fisetin derivative and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2022-03-01 — — CN claimed
CN-114105753-B Fisetin derivative and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2024-02-20 — — CN disclosed
CN-114105753-A Fisetin derivative and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2022-03-01 — — CN disclosed
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