SCHEMBL31376247

SCHEMBL31376247

COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(Cl)cc1)C=CC(C)(C)O2

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ HIF1AN Q9NWT6 10/20 0.59
▸ ODC1 P11926 4/20 0.59
▸ ACHE P22303 2/20 0.57
▸ BCHE P06276 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ BACE1 P56817 1/20 0.53
▸ ABCB1 P08183 1/20 0.52

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
SCHEMBL31376199 1.00 NFKB1 (0.62) NFKB1NFKB2RELAHIF1ANODC1
Xanthohumol C SCHEMBL14249680 0.92 NFKB1 (0.65) NFKB1NFKB2RELAHIF1ANODC1
Xanthohumol C SCHEMBL12961704 0.92 NFKB1 (0.65) NFKB1NFKB2RELAHIF1ANODC1
Xanthohumol C SCHEMBL30066955 0.92 NFKB1 (0.65) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376168 0.91 NFKB1 (0.61) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL14296455 0.91 ACHE (0.70) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376237 0.91 NFKB1 (0.69) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376266 0.91 ACHE (0.70) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376173 0.90 HIF1AN (0.59) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376233 0.90 NFKB1 (0.62) 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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