SCHEMBL31376189

SCHEMBL31376189

COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)c(Br)c1)C=CC(C)(C)O2

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ODC1 P11926 4/20 0.64
▸ HIF1AN Q9NWT6 9/20 0.61
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ ACHE P22303 2/20 0.52
▸ PTPN1 P18031 2/20 0.49
▸ BCHE P06276 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.47

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
SCHEMBL31376261 0.91 ODC1 (0.75) ODC1HIF1ANNFKB1NFKB2RELA
SCHEMBL16245064 0.91 HIF1AN (0.67) ODC1HIF1ANNFKB1NFKB2RELA
SCHEMBL14315437 0.91 HIF1AN (0.67) ODC1HIF1ANNFKB1NFKB2RELA
SCHEMBL31376233 0.89 NFKB1 (0.62) ODC1HIF1ANNFKB1NFKB2RELA
SCHEMBL31376195 0.89 NFKB1 (0.62) ODC1HIF1ANNFKB1NFKB2RELA
SCHEMBL31376262 0.89 HIF1AN (0.75) ODC1HIF1ANNFKB1NFKB2RELA
SCHEMBL31376188 0.89 HIF1AN (0.75) ODC1HIF1ANNFKB1NFKB2RELA
SCHEMBL31376169 0.88 HIF1AN (0.65) ODC1HIF1ANNFKB1NFKB2RELA
Xanthohumol C SCHEMBL14249680 0.87 NFKB1 (0.65) ODC1HIF1ANNFKB1NFKB2RELA
Xanthohumol C SCHEMBL30066955 0.87 NFKB1 (0.65) ODC1HIF1ANNFKB1NFKB2RELA

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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