SCHEMBL31376223

SCHEMBL31376223

COc1ccccc1/C=C/C(=O)c1ccc2c(c1O)C=CC(C)(C)O2

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HIF1AN Q9NWT6 11/20 0.69
▸ ODC1 P11926 2/20 0.69
▸ ACHE P22303 2/20 0.68
▸ BCHE P06276 1/20 0.64
▸ PTPN1 P18031 1/20 0.64
▸ BACE1 P56817 1/20 0.64
▸ NR1H4 Q96RI1 1/20 0.58
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1B1 Q16678 1/20 0.55

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
SCHEMBL31376205 0.91 HIF1AN (0.66) HIF1ANODC1ACHEBCHEPTPN1
SCHEMBL16694587 0.88 HIF1AN (0.72) HIF1ANODC1ACHEBCHEPTPN1
SCHEMBL16694586 0.88 HIF1AN (0.72) HIF1ANODC1ACHEBCHEPTPN1
SCHEMBL31376273 0.87 ACHE (0.73) HIF1ANODC1ACHEBCHEPTPN1
SCHEMBL31376228 0.86 HIF1AN (0.69) HIF1ANODC1ACHEBCHEPTPN1
SCHEMBL31376175 0.85 ACHE (0.66) HIF1ANODC1ACHEBCHEPTPN1
SCHEMBL16865504 0.85 HIF1AN (0.68) HIF1ANODC1ACHEBCHEPTPN1
SCHEMBL31376186 0.84 NFKB1 (0.54) HIF1ANODC1ACHEBCHENR1H4
SCHEMBL16698473 0.83 HDAC1 (0.58) HIF1ANODC1BCHENR1H4CYP1A1
SCHEMBL16698471 0.83 HDAC1 (0.58) HIF1ANODC1BCHENR1H4CYP1A1

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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