SCHEMBL31376188

SCHEMBL31376188

COc1ccc(/C=C/C(=O)c2c(OC)cc3c(c2O)C=CC(C)(C)O3)cc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1AN Q9NWT6 12/20 0.75
▸ ODC1 P11926 3/20 0.64
▸ NFKB1 P19838 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ ACHE P22303 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ BCHE P06276 1/20 0.51
▸ PTPN1 P18031 1/20 0.51

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
SCHEMBL31376262 1.00 HIF1AN (0.75) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL16245064 0.94 HIF1AN (0.67) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL14315437 0.94 HIF1AN (0.67) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL31376169 0.93 HIF1AN (0.65) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL31376261 0.92 ODC1 (0.75) HIF1ANODC1NFKB1NFKB2RELA
Xanthohumol C SCHEMBL30066955 0.90 NFKB1 (0.65) HIF1ANODC1NFKB1NFKB2RELA
Xanthohumol C SCHEMBL14249680 0.90 NFKB1 (0.65) HIF1ANODC1NFKB1NFKB2RELA
Xanthohumol C SCHEMBL12961704 0.90 NFKB1 (0.65) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL31376189 0.89 ODC1 (0.64) HIF1ANODC1NFKB1NFKB2RELA
SCHEMBL31376266 0.89 ACHE (0.70) HIF1ANODC1NFKB1NFKB2RELA

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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