SCHEMBL29425933

SCHEMBL29425933

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](COC(=O)c3ccccc3)[C@@H](O)[C@@H](O)[C@H]12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ STAT3 P40763 14/20 0.54
▸ POLB P06746 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ ELANE P08246 1/20 0.48

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
SCHEMBL29426006 0.86 STAT3 (0.64) MAPTMEN1KMT2ASTAT3POLB
SCHEMBL29425967 0.79 PTPN1 (0.61) MAPTMEN1KMT2ASTAT3
SCHEMBL31179881 0.75 STAT3 (0.71) MAPTMEN1KMT2ASTAT3
SCHEMBL29426133 0.75 POLB (0.65) MAPTMEN1KMT2ASTAT3POLB
SCHEMBL29425809 0.74 STAT3 (0.72) MAPTMEN1KMT2ASTAT3
SCHEMBL30932151 0.74 POLB (0.62) MAPTMEN1KMT2ASTAT3POLB
SCHEMBL31179883 0.74 STAT3 (0.72) MAPTMEN1KMT2ASTAT3
SCHEMBL20572206 0.74 ELANE (0.65) MAPTMEN1KMT2ASTAT3POLB
SCHEMBL29425943 0.74 STAT3 (0.58) MAPTMEN1KMT2ASTAT3POLB
SCHEMBL29425898 0.74 ELANE (0.65) MAPTMEN1KMT2ASTAT3POLB

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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