SCHEMBL29425794

SCHEMBL29425794

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC1O[C@@H](C)[C@@H](C)O1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 17/20 0.57
▸ MEN1 O00255 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ CTDSP1 Q9GZU7 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
SCHEMBL20572108 0.88 STAT3 (0.52) STAT3MEN1MAPTKMT2APOLB
SCHEMBL20572324 0.88 STAT3 (0.52) STAT3MEN1MAPTKMT2APOLB
SCHEMBL31006406 0.87 STAT3 (0.55) STAT3MEN1MAPTKMT2APOLB
SCHEMBL28663748 0.87 STAT3 (0.55) STAT3MEN1MAPTKMT2APOLB
Secologanin SCHEMBL431171 0.86 STAT3 (0.55) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29391273 0.80 POLB (0.49) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29629350 0.80 POLB (0.49) STAT3MEN1MAPTKMT2APOLB
Korolkoside SCHEMBL20572323 0.80 STAT3 (0.44) STAT3MEN1MAPTKMT2APOLB
SCHEMBL22686263 0.79 STAT3 (0.49) STAT3MEN1MAPTKMT2APOLB
SCHEMBL20572205 0.78 STAT3 (0.52) STAT3MEN1MAPTKMT2APOLB

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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