SCHEMBL30749714

SCHEMBL30749714

COc1ccc(CCC(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 12/20 0.65
▸ ACHE P22303 1/20 0.62
▸ HSP90AA1 P07900 3/20 0.61
▸ HIF1AN Q9NWT6 1/20 0.48

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
SCHEMBL16867662 0.87 HSP90AA1 (0.68) HIF1AHSP90AA1HIF1AN
SCHEMBL18245316 0.79 HIF1A (1.00) HIF1AHSP90AA1
SCHEMBL16867663 0.78 HIF1A (0.81) HIF1AHSP90AA1
SCHEMBL31376270 0.77 ACHE (1.00) ACHEHIF1AN
SCHEMBL16865541 0.77 HSP90AA1 (0.78) HIF1AHSP90AA1HIF1AN
SCHEMBL31074345 0.76 ACHE (0.59) HIF1AACHEHSP90AA1HIF1AN
SCHEMBL18597480 0.75 HIF1A (0.53) HIF1AHSP90AA1
SCHEMBL18244956 0.72 HIF1A (1.00) HIF1AHSP90AA1
SCHEMBL18597476 0.72 HSP90AA1 (0.49) HIF1AHSP90AA1HIF1AN
SCHEMBL28836658 0.71 HIF1A (0.56) HIF1AHSP90AA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118475347-A Combinations of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and norepinephrine reuptake inhibitors for the treatment of sleep apnea 拜耳公司 2024-08-09 — — CN claimed
CN-118541153-A Conjugates of a TASK1/3 channel blocker and a norepinephrine reuptake inhibitor for the treatment of sleep apnea 拜耳公司 2024-08-23 — — CN disclosed
CN-118384147-A Methods and compositions for treating sleep apnea 爱普宁公司(特拉华) 2024-07-26 — — CN disclosed
CN-117396460-A Solid forms of (R) -oxybutynin D-malate 爱普宁公司(特拉华) 2024-01-12 — — CN disclosed
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