SCHEMBL31376212

SCHEMBL31376212

COc1cc(/C=C/C(=O)c2c(OC)cc3c(c2O)C=CC(C)(C)O3)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ ACHE P22303 2/20 0.57
▸ HIF1AN Q9NWT6 6/20 0.56
▸ ODC1 P11926 4/20 0.56
▸ ABCG2 Q9UNQ0 3/20 0.55
▸ 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 0.92 ODC1 (0.60) NFKB1NFKB2RELAACHEHIF1AN
SCHEMBL14296455 0.91 ACHE (0.70) NFKB1NFKB2RELAACHEHIF1AN
SCHEMBL31376266 0.91 ACHE (0.70) NFKB1NFKB2RELAACHEHIF1AN
SCHEMBL31376216 0.90 NFKB1 (0.58) NFKB1NFKB2RELAACHEHIF1AN
SCHEMBL31376198 0.90 NFKB1 (0.58) NFKB1NFKB2RELAACHEHIF1AN
SCHEMBL31376291 0.90 NFKB1 (0.59) NFKB1NFKB2RELAACHEHIF1AN
SCHEMBL31376215 0.89 NFKB1 (0.56) NFKB1NFKB2RELAACHEHIF1AN
Xanthohumol C SCHEMBL14249680 0.88 NFKB1 (0.65) NFKB1NFKB2RELAACHEHIF1AN
SCHEMBL31376253 0.88 NFKB1 (0.62) NFKB1NFKB2RELAACHEHIF1AN
Xanthohumol C SCHEMBL30066955 0.88 NFKB1 (0.65) NFKB1NFKB2RELAACHEHIF1AN

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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