SCHEMBL29425880

SCHEMBL29425880

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

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 18/20 0.75
▸ MEN1 O00255 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ KMT2A Q03164 1/20 0.68

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
SCHEMBL29425805 1.00 STAT3 (0.75) STAT3MEN1MAPTKMT2A
SCHEMBL29425889 0.90 MAPT (0.68) STAT3MEN1MAPTKMT2A
SCHEMBL29425869 0.90 STAT3 (0.64) STAT3MEN1MAPTKMT2A
SCHEMBL29426044 0.89 STAT3 (0.63) STAT3MEN1MAPTKMT2A
SCHEMBL30124791 0.87 MEN1 (0.73) STAT3MEN1MAPTKMT2A
Morroniside SCHEMBL28054143 0.85 STAT3 (1.00) STAT3MEN1MAPTKMT2A
Morroniside SCHEMBL29409204 0.85 STAT3 (1.00) STAT3MEN1MAPTKMT2A
SCHEMBL30582139 0.84 STAT3 (1.00) STAT3MEN1MAPTKMT2A
SCHEMBL29741405 0.83 STAT3 (0.75) STAT3MEN1MAPTKMT2A
Loganin SCHEMBL23805433 0.82 STAT3 (1.00) STAT3MEN1MAPTKMT2A

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