SCHEMBL29425927

SCHEMBL29425927

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[C@H](O)[C@H]12

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.65
▸ STAT3 P40763 12/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ PTPN1 P18031 1/20 0.52

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
SCHEMBL29425898 1.00 ELANE (0.65) ELANESTAT3L3MBTL1MEN1MAPT
SCHEMBL29896779 1.00 ELANE (0.65) ELANESTAT3L3MBTL1MEN1MAPT
SCHEMBL20572206 1.00 ELANE (0.65) ELANESTAT3L3MBTL1MEN1MAPT
SCHEMBL9057631 0.89 ELANE (0.55) ELANESTAT3L3MBTL1MEN1MAPT
Scandoside SCHEMBL307654 0.88 L3MBTL1 (0.61) ELANESTAT3L3MBTL1MEN1MAPT
Scandoside SCHEMBL29682452 0.88 L3MBTL1 (0.61) ELANESTAT3L3MBTL1MEN1MAPT
Scandoside SCHEMBL29426072 0.88 L3MBTL1 (0.61) ELANESTAT3L3MBTL1MEN1MAPT
SCHEMBL29425804 0.87 STAT3 (0.56) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL28912673 0.87 ELANE (0.53) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL29425847 0.87 ELANE (0.53) ELANESTAT3MEN1MAPTKMT2A

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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