SCHEMBL31376278

SCHEMBL31376278

COc1cc(O)ccc1/C=C/C(=O)c1c(OC)cc2c(c1O)C=CC(C)(C)O2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ ODC1 P11926 4/20 0.52
▸ HIF1AN Q9NWT6 2/20 0.52
▸ CTSL P07711 4/20 0.51
▸ CTSB P07858 4/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ACHE P22303 2/20 0.48
▸ BCHE P06276 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ APP P05067 1/20 0.47
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ CHRNA7 P36544 1/20 0.44

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 0.89 NFKB1 (0.54) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL14249680 0.88 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL30066955 0.88 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL12961704 0.88 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376194 0.87 NFKB1 (0.54) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376256 0.86 MAOA (0.54) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376281 0.85 NFKB1 (0.51) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376219 0.84 NFKB1 (0.51) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376246 0.84 ABCG2 (0.55) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376208 0.84 NFKB1 (0.54) 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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