SCHEMBL31376220

SCHEMBL31376220

CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3cccc(Cl)c3)c2O)O1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ODC1 P11926 2/20 0.70
▸ ACHE P22303 2/20 0.70
▸ PTPN1 P18031 2/20 0.70
▸ BCHE P06276 1/20 0.70
▸ BACE1 P56817 1/20 0.70
▸ HIF1AN Q9NWT6 11/20 0.66
▸ CYP1A1 P04798 1/20 0.53
▸ CYP1B1 Q16678 1/20 0.53

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
SCHEMBL31376191 0.87 PTPN1 (0.83) ODC1ACHEPTPN1BCHEBACE1
Lonchocarpin SCHEMBL29435870 0.87 PTPN1 (0.83) ODC1ACHEPTPN1BCHEBACE1
SCHEMBL31376190 0.86 ACHE (0.78) ODC1ACHEPTPN1BCHEBACE1
SCHEMBL19960679 0.82 PTPN1 (1.00) ODC1ACHEPTPN1BCHEBACE1
SCHEMBL31376263 0.82 PTPN1 (1.00) ODC1ACHEPTPN1BCHEBACE1
SCHEMBL19960678 0.81 PTPN1 (0.85) ODC1ACHEPTPN1BCHEBACE1
SCHEMBL31376204 0.81 HIF1AN (0.56) ODC1ACHEPTPN1BCHEBACE1
SCHEMBL31376175 0.81 ACHE (0.66) ODC1ACHEPTPN1BCHEBACE1
SCHEMBL16694388 0.80 HIF1AN (0.87) ODC1ACHEPTPN1BCHEBACE1
SCHEMBL31376176 0.80 HIF1AN (0.87) ODC1ACHEPTPN1BCHEBACE1

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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