SCHEMBL31376252

SCHEMBL31376252

COc1cc2c(c(O)c1C(=O)/C=C/c1cccc(OCc3ccccc3)c1)C=CC(C)(C)O2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ HIF1AN Q9NWT6 6/20 0.50
▸ ODC1 P11926 1/20 0.50
▸ BCHE P06276 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ CYSLTR2 Q9NS75 1/20 0.47
▸ CYSLTR1 Q9Y271 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 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
SCHEMBL31376198 0.89 NFKB1 (0.58) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376216 0.89 NFKB1 (0.58) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376253 0.87 NFKB1 (0.62) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376179 0.83 HIF1AN (0.56) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376204 0.83 HIF1AN (0.56) NFKB1NFKB2RELAHIF1ANODC1
Xanthohumol C SCHEMBL12961704 0.81 NFKB1 (0.65) NFKB1NFKB2RELAHIF1ANODC1
Xanthohumol C SCHEMBL30066955 0.81 NFKB1 (0.65) NFKB1NFKB2RELAHIF1ANODC1
Xanthohumol C SCHEMBL14249680 0.81 NFKB1 (0.65) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL31376212 0.81 NFKB1 (0.59) NFKB1NFKB2RELAHIF1ANODC1
SCHEMBL14296455 0.81 ACHE (0.70) 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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