SCHEMBL31376208

SCHEMBL31376208

COc1cccc(/C=C/C(=O)c2c(OC)cc3c(c2O)C=CC(C)(C)O3)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ HIF1AN Q9NWT6 1/20 0.50
▸ ODC1 P11926 1/20 0.50
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ NFE2L2 Q16236 2/20 0.47
▸ ACHE P22303 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PLIN1 O60240 1/20 0.46

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
SCHEMBL31376194 0.91 NFKB1 (0.54) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376186 0.91 NFKB1 (0.54) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376256 0.88 MAOA (0.54) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376219 0.86 NFKB1 (0.51) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376246 0.86 ABCG2 (0.55) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376205 0.85 HIF1AN (0.66) HIF1ANODC1ACHEHSP90AA1
SCHEMBL31376278 0.84 NFKB1 (0.53) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376291 0.84 NFKB1 (0.59) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376253 0.84 NFKB1 (0.62) NFKB1NFKB2RELAHIF1ANODC1
Xanthohumol C SCHEMBL14249680 0.82 NFKB1 (0.65) NFKB1NFKB2RELAHIF1ANODC1

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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