SCHEMBL31376190

SCHEMBL31376190

COc1cccc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.78
▸ HIF1AN Q9NWT6 11/20 0.72
▸ ODC1 P11926 2/20 0.72
▸ PTPN1 P18031 2/20 0.67
▸ BCHE P06276 1/20 0.67
▸ BACE1 P56817 1/20 0.67
▸ NR1H4 Q96RI1 1/20 0.61

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
SCHEMBL13534952 0.88 ACHE (1.00) ACHEHIF1ANODC1PTPN1BCHE
SCHEMBL31376270 0.88 ACHE (1.00) ACHEHIF1ANODC1PTPN1BCHE
SCHEMBL31376220 0.86 ODC1 (0.70) ACHEHIF1ANODC1PTPN1BCHE
Lonchocarpin SCHEMBL29435870 0.85 PTPN1 (0.83) ACHEHIF1ANODC1PTPN1BCHE
SCHEMBL16694388 0.85 HIF1AN (0.87) ACHEHIF1ANODC1PTPN1BCHE
SCHEMBL31376176 0.85 HIF1AN (0.87) ACHEHIF1ANODC1PTPN1BCHE
SCHEMBL16694389 0.85 HIF1AN (0.87) ACHEHIF1ANODC1PTPN1BCHE
SCHEMBL31376198 0.84 NFKB1 (0.58) ACHEHIF1ANODC1NR1H4
SCHEMBL31376216 0.84 NFKB1 (0.58) ACHEHIF1ANODC1NR1H4
SCHEMBL29499925 0.84 ODC1 (1.00) ACHEHIF1ANODC1PTPN1BCHE

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
CN-119504685-A Benzopyran flavonoid compound, preparation method and application thereof, and pharmaceutical preparation 南开大学 2025-02-25 — — CN disclosed
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