SCHEMBL29425847

SCHEMBL29425847

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

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.53
▸ STAT3 P40763 14/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL28912673 1.00 ELANE (0.53) ELANESTAT3MEN1MAPTKMT2A
Paederosidic Acid SCHEMBL424808 0.91 MAPT (0.50) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL9057631 0.90 ELANE (0.55) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL424407 0.88 MAPT (0.44) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL423645 0.87 ELANE (0.46) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL29425898 0.87 ELANE (0.65) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL20572206 0.87 ELANE (0.65) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL29425927 0.87 ELANE (0.65) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL29896779 0.87 ELANE (0.65) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL421492 0.85 ELANE (0.47) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047989-B Paedenin methyl ester monomer compound, preparation method and application thereof 宁波大昌药业有限公司 2023-02-03 — — CN claimed
CN-112730677-B UPLC-Q-TOF/MS method for detecting multiple chemical components in paederia scandens 成都中医药大学 2022-06-21 — — CN claimed
CN-112047989-B Paedenin methyl ester monomer compound, preparation method and application thereof 宁波大昌药业有限公司 2023-02-03 — — CN disclosed
CN-112047989-B Paedenin methyl ester monomer compound, preparation method and application thereof 宁波大昌药业有限公司 2023-02-03 — — CN disclosed
CN-112730677-B UPLC-Q-TOF/MS method for detecting multiple chemical components in paederia scandens 成都中医药大学 2022-06-21 — — CN disclosed
CN-113288907-B Application of iridoid compound in preparing anti-coronavirus medicine 五邑大学 2022-05-20 — — CN disclosed
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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