SCHEMBL29425802

SCHEMBL29425802

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)CC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 15/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ POLB P06746 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ BACE1 P56817 1/20 0.45

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
SCHEMBL29374383 0.91 STAT3 (0.42) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29373472 0.89 MAPT (0.49) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29425792 0.83 STAT3 (0.41) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29372634 0.82 STAT3 (0.55) STAT3MEN1MAPTKMT2APOLB
SCHEMBL420937 0.80 MAPT (0.47) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29426112 0.79 MAPT (0.51) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29475055 0.74 STAT3 (0.72) STAT3MEN1MAPTKMT2A
SCHEMBL24556696 0.74 BACE1 (0.59) STAT3MEN1MAPTKMT2APOLB
SCHEMBL23544471 0.74 BACE1 (0.59) STAT3MEN1MAPTKMT2APOLB
SCHEMBL20572206 0.72 ELANE (0.65) 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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