SCHEMBL31376216

SCHEMBL31376216

COc1cccc(/C=C/C(=O)c2c(OC)cc3c(c2O)C=CC(C)(C)O3)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ HIF1AN Q9NWT6 4/20 0.57
▸ ODC1 P11926 2/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ ACHE P22303 1/20 0.56
▸ ABCB1 P08183 1/20 0.54
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KCNA3 P22001 1/20 0.50
▸ NQO1 P15559 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL31376198 1.00 NFKB1 (0.58) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376212 0.90 NFKB1 (0.59) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376253 0.90 NFKB1 (0.62) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376179 0.90 HIF1AN (0.56) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376204 0.90 HIF1AN (0.56) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL14296455 0.89 ACHE (0.70) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376266 0.89 ACHE (0.70) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376252 0.89 NFKB1 (0.51) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376169 0.87 HIF1AN (0.65) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376262 0.86 HIF1AN (0.75) 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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