SCHEMBL29416705

SCHEMBL29416705

O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(OCCN2CCOCC2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 14/20 0.71
▸ BCHE P06276 2/20 0.62
▸ ACHE P22303 2/20 0.62
▸ MAOA P21397 1/20 0.54
▸ APP P05067 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ EGFR P00533 1/20 0.53
▸ SRC P12931 1/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ HSD17B2 P37059 1/20 0.53
▸ PIK3CA P42336 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51

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
SCHEMBL28695564 1.00 MAOB (0.71) MAOBBCHEACHEMAOAAPP
SCHEMBL29416758 0.95 MAOB (0.71) MAOBBCHEACHEMAOAKEAP1
SCHEMBL28684813 0.95 MAOB (0.71) MAOBBCHEACHEMAOAKEAP1
SCHEMBL28685577 0.93 MAOB (0.60) MAOBBCHEACHEKEAP1NFE2L2
SCHEMBL29416748 0.93 MAOB (0.60) MAOBBCHEACHEKEAP1NFE2L2
SCHEMBL28703643 0.91 MAOB (0.86) MAOBBCHEACHEMAOAMEN1
SCHEMBL29416643 0.91 MAOB (0.86) MAOBBCHEACHEMAOAMEN1
SCHEMBL25209703 0.89 MAOB (0.76) MAOBBCHEACHEMAOAAPP
SCHEMBL29416632 0.88 MAOB (0.61) MAOBBCHEACHEAPPKEAP1
SCHEMBL28932598 0.88 MAOB (0.61) MAOBBCHEACHEAPPKEAP1

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