SCHEMBL28867299

SCHEMBL28867299

OC[C@H]1O[C@@H](OCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.66
PPARG P37231 1/20 0.58
PPARD Q03181 1/20 0.58
PPARA Q07869 1/20 0.58
SLC5A2 P31639 2/20 0.57
SLC5A1 P13866 2/20 0.56
SLC28A3 Q9HAS3 1/20 0.55
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
G6PD P11413 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
PTGS2 P35354 1/20 0.52
HSD17B10 Q99714 2/20 0.51
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C9 P11712 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
SCHEMBL14975518 0.95 SLC5A2 (0.61) TYRPPARGPPARDPPARASLC5A2
SCHEMBL14975517 0.95 SLC5A2 (0.61) TYRPPARGPPARDPPARASLC5A2
SCHEMBL16227542 0.95 SLC5A2 (0.61) TYRPPARGPPARDPPARASLC5A2
SCHEMBL29193080 0.88 SLC5A2 (0.61) TYRPPARGPPARDPPARASLC5A2
SCHEMBL14974633 0.88 SLC5A2 (0.55) TYRPPARGPPARDPPARASLC5A2
SCHEMBL23333314 0.88 SLC5A2 (0.58) TYRPPARGPPARDPPARASLC5A2
SCHEMBL14974634 0.88 SLC5A2 (0.55) TYRPPARGPPARDPPARASLC5A2
SCHEMBL6763042 0.88 SLC5A2 (0.55) TYRPPARGPPARDPPARASLC5A2
SCHEMBL6763046 0.88 SLC5A2 (0.55) TYRPPARGPPARDPPARASLC5A2
SCHEMBL2621543 0.88 SLC5A2 (0.61) TYRPPARGPPARDPPARASLC5A2

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 3 patents. 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
CN-115058400-B Application of glycosyltransferase RrUGT3 from roses in biosynthesis of gastrodin 湖北大学 2023-04-25 CN disclosed
CN-115058400-A Application of glycosyl transferase RrUGT3 from rose in biosynthesis of gastrodin 湖北大学 2022-09-16 CN disclosed