SCHEMBL29425733

SCHEMBL29425733

C[C@@]1(O)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ POLB P06746 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ STAT3 P40763 11/20 0.47
▸ JUN P05412 1/20 0.42
▸ PTPN1 P18031 1/20 0.42

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
Lamalbid SCHEMBL9056954 0.90 POLB (0.66) MAPTPOLBCTDSP1MEN1KMT2A
Shanzhiside SCHEMBL306203 0.85 MAPT (0.58) MAPTPOLBCTDSP1MEN1KMT2A
SCHEMBL29426237 0.82 MAPT (0.63) MAPTPOLBCTDSP1MEN1KMT2A
Chlorotuberoside SCHEMBL29425799 0.81 POLB (0.62) MAPTPOLBCTDSP1MEN1KMT2A
SCHEMBL2636258 0.81 MAPT (0.61) MAPTPOLBCTDSP1MEN1KMT2A
SCHEMBL29425960 0.79 POLB (0.53) MAPTPOLBCTDSP1MEN1KMT2A
SCHEMBL422339 0.77 POLB (0.80) MAPTPOLBCTDSP1MEN1KMT2A
SCHEMBL422338 0.77 POLB (0.80) MAPTPOLBCTDSP1MEN1KMT2A
Scandoside SCHEMBL307654 0.76 L3MBTL1 (0.61) MAPTPOLBCTDSP1MEN1KMT2A
Scandoside SCHEMBL29682452 0.76 L3MBTL1 (0.61) MAPTPOLBCTDSP1MEN1KMT2A

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
EP-3409766-B1 AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS N ZYME BIOTEC GMBH (DE) 2022-03-09 — — EP disclosed
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