SCHEMBL31376191

SCHEMBL31376191

CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(Cl)cc3)c2O)O1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.83
▸ ACHE P22303 2/20 0.83
▸ ODC1 P11926 2/20 0.83
▸ BCHE P06276 1/20 0.83
▸ BACE1 P56817 1/20 0.83
▸ HIF1AN Q9NWT6 11/20 0.68

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
SCHEMBL31376263 0.91 PTPN1 (1.00) PTPN1ACHEODC1BCHEBACE1
SCHEMBL19960679 0.91 PTPN1 (1.00) PTPN1ACHEODC1BCHEBACE1
SCHEMBL19960678 0.90 PTPN1 (0.85) PTPN1ACHEODC1BCHEBACE1
Lonchocarpin SCHEMBL29435870 0.88 PTPN1 (0.83) PTPN1ACHEODC1BCHEBACE1
SCHEMBL31376220 0.87 ODC1 (0.70) PTPN1ACHEODC1BCHEBACE1
SCHEMBL31376270 0.87 ACHE (1.00) PTPN1ACHEODC1BCHEBACE1
SCHEMBL13534952 0.87 ACHE (1.00) PTPN1ACHEODC1BCHEBACE1
SCHEMBL31376175 0.82 ACHE (0.66) PTPN1ACHEODC1BCHEBACE1
SCHEMBL16694388 0.82 HIF1AN (0.87) PTPN1ACHEODC1BCHEBACE1
SCHEMBL31376176 0.82 HIF1AN (0.87) PTPN1ACHEODC1BCHEBACE1

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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