SCHEMBL29425801

SCHEMBL29425801

C[C@]1(O)CC[C@]2(O)C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ POLB P06746 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ STAT3 P40763 12/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL20476536 0.90 POLB (0.52) MAPTPOLBCTDSP1STAT3MEN1
SCHEMBL29426190 0.85 STAT3 (0.49) MAPTPOLBCTDSP1STAT3MEN1
SCHEMBL29425870 0.85 MAPT (0.48) MAPTPOLBCTDSP1ALDH1A1TSHR
SCHEMBL30085701 0.78 MAPT (0.47) MAPTPOLBCTDSP1STAT3MEN1
SCHEMBL31179905 0.75 POLB (0.51) MAPTPOLBCTDSP1ALDH1A1TSHR
SCHEMBL29426020 0.75 POLB (0.51) MAPTPOLBCTDSP1ALDH1A1TSHR
Phlomiol SCHEMBL9057941 0.75 POLB (0.55) MAPTPOLBCTDSP1STAT3MEN1
Phloyoside I SCHEMBL29426051 0.75 POLB (0.55) MAPTPOLBCTDSP1STAT3MEN1
SCHEMBL2636258 0.75 MAPT (0.61) MAPTPOLBCTDSP1STAT3MEN1
Shanzhiside SCHEMBL306203 0.73 MAPT (0.58) MAPTPOLBCTDSP1STAT3MEN1

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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