SCHEMBL29425804

SCHEMBL29425804

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C[C@@H](O)[C@H]12

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 16/20 0.56
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ELANE P08246 1/20 0.53

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
SCHEMBL29896779 0.87 ELANE (0.65) STAT3MEN1MAPTKMT2AELANE
SCHEMBL29425898 0.87 ELANE (0.65) STAT3MEN1MAPTKMT2AELANE
SCHEMBL29425927 0.87 ELANE (0.65) STAT3MEN1MAPTKMT2AELANE
SCHEMBL20572206 0.87 ELANE (0.65) STAT3MEN1MAPTKMT2AELANE
SCHEMBL9057631 0.86 ELANE (0.55) STAT3MEN1MAPTKMT2AELANE
SCHEMBL28912673 0.84 ELANE (0.53) STAT3MEN1MAPTKMT2AELANE
SCHEMBL29425847 0.84 ELANE (0.53) STAT3MEN1MAPTKMT2AELANE
Genameside D SCHEMBL29425843 0.80 PTPN1 (0.60) STAT3
SCHEMBL29425770 0.79 STAT3 (0.41) STAT3MEN1MAPTKMT2AELANE
SCHEMBL29425998 0.78 ELANE (0.46) STAT3MEN1MAPTKMT2AELANE

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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