SCHEMBL30392355

SCHEMBL30392355

COc1ccc([C@H]2Oc3c(c(O)cc(O)c3[C@H]3C(=O)c4c(O)cc(O)cc4O[C@@H]3c3ccc(O)cc3)C(=O)[C@@H]2O)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK1 P06870 1/20 0.58
▸ KLK3 P07288 1/20 0.58
▸ KLK2 P20151 1/20 0.58
▸ KLK7 P49862 1/20 0.58
▸ KLK6 Q92876 1/20 0.58
▸ KLK5 Q9Y337 1/20 0.58
▸ SLCO1B3 Q9NPD5 4/20 0.55
▸ SLCO1B1 Q9Y6L6 4/20 0.55
▸ SLCO2B1 O94956 3/20 0.55
▸ CBS P35520 2/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ ALOX15 P16050 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ RECQL P46063 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ ALOX12 P18054 2/20 0.55

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
SCHEMBL17915837 1.00 KLK1 (0.58) KLK1KLK3KLK2KLK7KLK6
SCHEMBL4742819 1.00 KLK1 (0.58) KLK1KLK3KLK2KLK7KLK6
SCHEMBL6363033 0.90 KLK1 (0.66) KLK1KLK3KLK2KLK7KLK6
SCHEMBL28770111 0.90 KLK1 (0.66) KLK1KLK3KLK2KLK7KLK6
SCHEMBL6360019 0.90 KLK1 (0.66) KLK1KLK3KLK2KLK7KLK6
SCHEMBL16263265 0.89 KLK1 (0.72) KLK1KLK3KLK2KLK7KLK6
SCHEMBL6360284 0.89 KLK1 (0.72) KLK1KLK3KLK2KLK7KLK6
SCHEMBL29414343 0.89 KLK1 (0.72) KLK1KLK3KLK2KLK7KLK6
SCHEMBL29441285 0.87 SOST (0.67) KLK1KLK3KLK2KLK7KLK6
SCHEMBL16263267 0.86 RECQL (0.75) KLK1KLK3KLK2KLK7KLK6

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-111920799-B Kule fruit effective component composition and preparation method and application thereof 唐山克里福蒂生物科技有限公司 2023-05-12 — — CN disclosed
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