SCHEMBL31376248

SCHEMBL31376248

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

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 3/20 0.70
▸ NFKB2 Q00653 3/20 0.70
▸ RELA Q04206 3/20 0.70
▸ ODC1 P11926 4/20 0.63
▸ ACHE P22303 2/20 0.58
▸ PTPN1 P18031 2/20 0.58
▸ BCHE P06276 1/20 0.58
▸ BACE1 P56817 1/20 0.58
▸ HIF1AN Q9NWT6 1/20 0.56
▸ ALOX5 P09917 1/20 0.53
▸ DPP4 P27487 1/20 0.53
▸ MCL1 Q07820 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HIF1A Q16665 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ CAPN1 P07384 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 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
Xanthohumol C SCHEMBL30066955 0.92 NFKB1 (0.65) NFKB1NFKB2RELAODC1ACHE
Xanthohumol C SCHEMBL14249680 0.92 NFKB1 (0.65) NFKB1NFKB2RELAODC1ACHE
Xanthohumol C SCHEMBL12961704 0.92 NFKB1 (0.65) NFKB1NFKB2RELAODC1ACHE
SCHEMBL31376237 0.91 NFKB1 (0.69) NFKB1NFKB2RELAODC1ACHE
SCHEMBL31376180 0.91 NFKB1 (0.68) NFKB1NFKB2RELAODC1ACHE
SCHEMBL18597279 0.85 NFKB1 (0.62) NFKB1NFKB2RELAODC1ACHE
SCHEMBL31376266 0.84 ACHE (0.70) NFKB1NFKB2RELAODC1ACHE
SCHEMBL14296455 0.84 ACHE (0.70) NFKB1NFKB2RELAODC1ACHE
SCHEMBL31376247 0.84 NFKB1 (0.62) NFKB1NFKB2RELAODC1ACHE
SCHEMBL31376199 0.84 NFKB1 (0.62) NFKB1NFKB2RELAODC1ACHE

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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