SCHEMBL31376253

SCHEMBL31376253

COc1cc2c(c(O)c1C(=O)/C=C/c1ccccc1)C=CC(C)(C)O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 2/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ MAPT P10636 5/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ ODC1 P11926 3/20 0.58
▸ HIF1AN Q9NWT6 2/20 0.58
▸ ACHE P22303 2/20 0.57
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KCNA3 P22001 1/20 0.53
▸ BCHE P06276 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ BACE1 P56817 1/20 0.53
▸ TP53 P04637 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52

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) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL12961704 0.92 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL14249680 0.92 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL14296455 0.91 ACHE (0.70) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376266 0.91 ACHE (0.70) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376180 0.91 NFKB1 (0.68) NFKB1NFKB2RELAMAPTNPSR1
SCHEMBL31376216 0.90 NFKB1 (0.58) NFKB1NFKB2RELAMAPTNPSR1
SCHEMBL31376198 0.90 NFKB1 (0.58) NFKB1NFKB2RELAMAPTNPSR1
SCHEMBL31376233 0.90 NFKB1 (0.62) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376247 0.90 NFKB1 (0.62) 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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