SCHEMBL28720265

SCHEMBL28720265

COc1ccc(-c2ccccc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 1/20 0.61
▸ SLC5A2 P31639 1/20 0.61
▸ TYR P14679 2/20 0.58
▸ PTPN1 P18031 1/20 0.57
▸ ACHE P22303 1/20 0.55
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ IL2 P60568 1/20 0.53
▸ CD209 Q9NNX6 1/20 0.51

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
SCHEMBL29364063 0.85 SLC5A2 (0.71) SLC5A1SLC5A2TYRACHENPC1
SCHEMBL14120906 0.82 TYR (0.59) SLC5A1SLC5A2TYRNPC1RAB9A
SCHEMBL23479758 0.82 TYR (0.62) SLC5A1SLC5A2TYRPTPN1
SCHEMBL5506137 0.82 TYR (0.62) SLC5A1SLC5A2TYRPTPN1
SCHEMBL9100644 0.82 TYR (0.62) SLC5A1SLC5A2TYRPTPN1
SCHEMBL14120978 0.82 TYR (0.62) SLC5A1SLC5A2TYRPTPN1
SCHEMBL14120677 0.81 TYR (0.66) SLC5A1SLC5A2TYRACHENPC1
SCHEMBL23479773 0.81 TYR (0.54) SLC5A2TYR
SCHEMBL28717631 0.81 TYR (0.61) SLC5A2TYRACHE
SCHEMBL6585520 0.80 TYR (0.71) SLC5A2TYR

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-113980071-A Salidroside derivatives and application thereof 重庆大学 2022-01-28 — — CN disclosed
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