SCHEMBL31376246

SCHEMBL31376246

COc1cc2c(c(O)c1C(=O)/C=C/c1ccccc1Cl)C=CC(C)(C)O2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.55
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ODC1 P11926 4/20 0.50
▸ HIF1AN Q9NWT6 2/20 0.50
▸ ACHE P22303 2/20 0.46
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ BACE1 P56817 1/20 0.42

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
SCHEMBL31376186 0.91 NFKB1 (0.54) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376256 0.90 MAOA (0.54) ABCG2NFKB1NFKB2RELAODC1
SCHEMBL31376281 0.90 NFKB1 (0.51) ABCG2NFKB1NFKB2RELAODC1
SCHEMBL31376219 0.89 NFKB1 (0.51) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376208 0.86 NFKB1 (0.54) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL29271168 0.86 NFKB1 (0.51) ABCG2NFKB1NFKB2RELAODC1
SCHEMBL29271169 0.86 NFKB1 (0.51) ABCG2NFKB1NFKB2RELAODC1
SCHEMBL31376253 0.86 NFKB1 (0.62) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376173 0.85 HIF1AN (0.59) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376278 0.84 NFKB1 (0.53) NFKB1NFKB2RELAODC1HIF1AN

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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