SCHEMBL31504735

SCHEMBL31504735

O=C1CC(c2ccccc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc21

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.79
▸ P4HB P07237 1/20 0.79
▸ TRPV1 Q8NER1 1/20 0.79
▸ PTPN1 P18031 3/20 0.65
▸ SLCO2B1 O94956 2/20 0.65
▸ SYNJ2 O15056 1/20 0.60
▸ MAOB P27338 7/20 0.56
▸ CYP19A1 P11511 5/20 0.56
▸ KDM1A O60341 1/20 0.56
▸ GSK3B P49841 1/20 0.52
▸ UBE2N P61088 1/20 0.52
▸ MAOA P21397 1/20 0.51
▸ PSMB5 P28074 1/20 0.51
▸ XDH P47989 1/20 0.51
▸ CYP3A4 P08684 1/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL27939664 1.00 TRPA1 (0.79) TRPA1P4HBTRPV1PTPN1SLCO2B1
SCHEMBL10926327 1.00 TRPA1 (0.79) TRPA1P4HBTRPV1PTPN1SLCO2B1
SCHEMBL29351306 0.92 TRPA1 (0.89) TRPA1P4HBTRPV1PTPN1SLCO2B1
SCHEMBL22380698 0.89 SLCO2B1 (0.77) TRPA1P4HBTRPV1PTPN1SLCO2B1
SCHEMBL22261653 0.89 SLCO2B1 (0.77) TRPA1P4HBTRPV1PTPN1SLCO2B1
Liquiritin SCHEMBL24209243 0.88 TRPA1 (1.00) TRPA1P4HBTRPV1PTPN1SLCO2B1
Liquiritin SCHEMBL29536850 0.88 TRPA1 (1.00) TRPA1P4HBTRPV1PTPN1SLCO2B1
Liquiritin SCHEMBL15091079 0.88 TRPA1 (1.00) TRPA1P4HBTRPV1PTPN1SLCO2B1
Liquiritin SCHEMBL24835038 0.88 TRPA1 (1.00) TRPA1P4HBTRPV1PTPN1SLCO2B1
Liquiritin SCHEMBL13906116 0.88 TRPA1 (1.00) TRPA1P4HBTRPV1PTPN1SLCO2B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119736269-A Application of citrus flavonoid glycosyltransferase CitUGT A78 in biosynthesis of flavonoid glycoside 浙江大学 2025-04-01 — — CN claimed
CN-119736269-A Application of citrus flavonoid glycosyltransferase CitUGT A78 in biosynthesis of flavonoid glycoside 浙江大学 2025-04-01 — — CN disclosed
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