SCHEMBL31376237

SCHEMBL31376237

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 5/20 0.69
▸ NFKB2 Q00653 5/20 0.69
▸ RELA Q04206 5/20 0.69
▸ ODC1 P11926 4/20 0.52
▸ HIF1AN Q9NWT6 1/20 0.52
▸ ACHE P22303 2/20 0.51
▸ ABCG2 Q9UNQ0 3/20 0.47
▸ BCHE P06276 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 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
SCHEMBL31376247 0.91 NFKB1 (0.62) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376199 0.91 NFKB1 (0.62) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376248 0.91 NFKB1 (0.70) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL31376180 0.90 NFKB1 (0.68) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL18597279 0.84 NFKB1 (0.62) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL14249680 0.82 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL12961704 0.82 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
Xanthohumol C SCHEMBL30066955 0.82 NFKB1 (0.65) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL28904351 0.82 NFKB1 (0.77) NFKB1NFKB2RELAODC1HIF1AN
SCHEMBL28904348 0.82 NFKB1 (0.77) 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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