SCHEMBL31376186

SCHEMBL31376186

COc1ccccc1/C=C/C(=O)c1c(OC)cc2c(c1O)C=CC(C)(C)O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ ODC1 P11926 3/20 0.52
▸ HIF1AN Q9NWT6 1/20 0.52
▸ ACHE P22303 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ PLIN1 O60240 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ PLIN5 Q00G26 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ABHD5 Q8WTS1 1/20 0.48
▸ MAOB P27338 3/20 0.47
▸ MAOA P21397 1/20 0.47
▸ AR P10275 2/20 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
SCHEMBL31376256 0.93 MAOA (0.54) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376246 0.91 ABCG2 (0.55) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376208 0.91 NFKB1 (0.54) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376219 0.91 NFKB1 (0.51) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376278 0.89 NFKB1 (0.53) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376253 0.89 NFKB1 (0.62) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376194 0.86 NFKB1 (0.54) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL14249680 0.84 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376223 0.84 HIF1AN (0.69) ODC1HIF1ANACHENR1H4BCHE
Xanthohumol C SCHEMBL30066955 0.84 NFKB1 (0.65) 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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