SCHEMBL31376169

SCHEMBL31376169

COc1ccc(/C=C/C(=O)c2c(OC)cc3c(c2O)C=CC(C)(C)O3)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HIF1AN Q9NWT6 15/20 0.65
▸ ODC1 P11926 1/20 0.65
▸ NFKB1 P19838 1/20 0.61
▸ NFKB2 Q00653 1/20 0.61
▸ RELA Q04206 1/20 0.61
▸ ACHE P22303 1/20 0.56

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
SCHEMBL31376188 0.93 HIF1AN (0.75) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL31376261 0.93 ODC1 (0.75) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL31376262 0.93 HIF1AN (0.75) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL16245064 0.91 HIF1AN (0.67) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL14315437 0.91 HIF1AN (0.67) HIF1ANODC1NFKB1NFKB2RELA
Xanthohumol C SCHEMBL12961704 0.91 NFKB1 (0.65) HIF1ANODC1NFKB1NFKB2RELA
Xanthohumol C SCHEMBL14249680 0.91 NFKB1 (0.65) HIF1ANODC1NFKB1NFKB2RELA
Xanthohumol C SCHEMBL30066955 0.91 NFKB1 (0.65) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL31376226 0.91 ODC1 (0.60) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL31376266 0.90 ACHE (0.70) HIF1ANODC1NFKB1NFKB2RELA

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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