SCHEMBL31376175

SCHEMBL31376175

CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccccc3Cl)c2O)O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.66
▸ ODC1 P11926 2/20 0.66
▸ PTPN1 P18031 2/20 0.66
▸ BCHE P06276 1/20 0.66
▸ BACE1 P56817 1/20 0.66
▸ HIF1AN Q9NWT6 8/20 0.57
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CYP1A1 P04798 1/20 0.52

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
SCHEMBL31376223 0.85 HIF1AN (0.69) ACHEODC1PTPN1BCHEBACE1
Lonchocarpin SCHEMBL29435870 0.84 PTPN1 (0.83) ACHEODC1PTPN1BCHEBACE1
SCHEMBL31376191 0.82 PTPN1 (0.83) ACHEODC1PTPN1BCHEBACE1
SCHEMBL31376220 0.81 ODC1 (0.70) ACHEODC1PTPN1BCHEBACE1
SCHEMBL31376205 0.81 HIF1AN (0.66) ACHEODC1PTPN1BCHEBACE1
SCHEMBL31376246 0.80 ABCG2 (0.55) ACHEODC1PTPN1BCHEBACE1
SCHEMBL19960679 0.80 PTPN1 (1.00) ACHEODC1PTPN1BCHEBACE1
SCHEMBL31376263 0.80 PTPN1 (1.00) ACHEODC1PTPN1BCHEBACE1
SCHEMBL16694586 0.79 HIF1AN (0.72) ACHEODC1PTPN1BCHEBACE1
SCHEMBL16694587 0.79 HIF1AN (0.72) ACHEODC1PTPN1BCHEBACE1

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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