SCHEMBL29416639

SCHEMBL29416639

O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(OCCCN2CCCC2)cc1O

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 15/20 0.86
▸ BCHE P06276 4/20 0.79
▸ ACHE P22303 4/20 0.79
▸ MAOA P21397 2/20 0.62
▸ HRH3 Q9Y5N1 1/20 0.60

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
SCHEMBL29416648 0.99 MAOB (0.86) MAOBBCHEACHEMAOAHRH3
SCHEMBL28703643 0.95 MAOB (0.86) MAOBBCHEACHEMAOA
SCHEMBL29416643 0.95 MAOB (0.86) MAOBBCHEACHEMAOA
SCHEMBL29416672 0.93 MAOB (0.74) MAOBBCHEACHEHRH3
SCHEMBL29416737 0.92 MAOB (0.74) MAOBBCHEACHEHRH3
SCHEMBL28684813 0.91 MAOB (0.71) MAOBBCHEACHEMAOA
SCHEMBL29416758 0.91 MAOB (0.71) MAOBBCHEACHEMAOA
SCHEMBL29416618 0.87 MAOB (0.73) MAOBBCHEACHEHRH3
SCHEMBL28701635 0.87 MAOB (0.73) MAOBBCHEACHEHRH3
SCHEMBL28695564 0.86 MAOB (0.71) MAOBBCHEACHEMAOA

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
Send feedback