SCHEMBL29193260

SCHEMBL29193260

OC[C@H]1O[C@@H](OCc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 3/20 0.56
▸ SLC5A1 P13866 2/20 0.53
▸ TYR P14679 2/20 0.52
▸ PTPN1 P18031 1/20 0.51
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA4 P22748 2/20 0.48
▸ CA5A P35218 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA13 Q8N1Q1 2/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ CA6 P23280 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
SCHEMBL29366465 0.88 MAOB (0.55) SLC5A2SLC5A1TYRPTPN1
SCHEMBL1437571 0.88 MAOB (0.55) SLC5A2SLC5A1TYRPTPN1
SCHEMBL29193242 0.86 SLC5A2 (0.60) SLC5A2SLC5A1TYRPTPN1
SCHEMBL9001318 0.85 SLC6A2 (0.57) SLC5A2TYRPTPN1
SCHEMBL5026360 0.85 SLC6A2 (0.57) SLC5A2TYRPTPN1
SCHEMBL9849387 0.85 SLC6A2 (0.57) SLC5A2TYRPTPN1
SCHEMBL15504372 0.85 SLC6A2 (0.57) SLC5A2TYRPTPN1
SCHEMBL20056672 0.85 SLC6A2 (0.57) SLC5A2TYRPTPN1
SCHEMBL5026366 0.85 SLC6A2 (0.57) SLC5A2TYRPTPN1
SCHEMBL18718056 0.85 SLC6A2 (0.57) SLC5A2TYRPTPN1

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-114381484-B Application of UGT85A1 or RrUGT3 in catalyzing various substrates to generate glycoside compounds 山东大学 2024-04-19 — — CN claimed
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