SCHEMBL29426138

SCHEMBL29426138

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)C[C@@H](O)[C@@]12O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ STAT3 P40763 16/20 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
SCHEMBL29425813 0.85 POLB (0.59) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL30819230 0.83 MAPT (0.58) MAPTMEN1KMT2APOLBCTDSP1
Phloyoside I SCHEMBL29426051 0.80 POLB (0.55) MAPTMEN1KMT2APOLBCTDSP1
Phlomiol SCHEMBL9057941 0.80 POLB (0.55) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL31179894 0.79 POLB (0.54) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL29426020 0.78 POLB (0.51) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL31179905 0.78 POLB (0.51) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL29425884 0.78 POLB (0.65) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL29425778 0.78 POLB (0.65) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL29425860 0.77 ALDH1A1 (0.49) MAPTMEN1KMT2APOLBCTDSP1

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
Send feedback