SCHEMBL31376291

SCHEMBL31376291

COc1cc(/C=C/C(=O)c2c(OC)cc3c(c2O)C=CC(C)(C)O3)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ ODC1 P11926 5/20 0.58
▸ HIF1AN Q9NWT6 8/20 0.56
▸ ACHE P22303 2/20 0.52
▸ ABCB1 P08183 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ KRAS P01116 1/20 0.48
▸ BCHE P06276 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ BACE1 P56817 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
SCHEMBL31376226 0.94 ODC1 (0.60) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376212 0.90 NFKB1 (0.59) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376169 0.89 HIF1AN (0.65) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376215 0.89 NFKB1 (0.56) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376261 0.88 ODC1 (0.75) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL30066955 0.88 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL12961704 0.88 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL14249680 0.88 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376253 0.88 NFKB1 (0.62) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL14296455 0.87 ACHE (0.70) NFKB1NFKB2RELAODC1HIF1AN

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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