SCHEMBL29425943

SCHEMBL29425943

C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@H]2[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 14/20 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
▸ ELANE P08246 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
SCHEMBL30289923 0.83 STAT3 (0.66) STAT3MEN1MAPTKMT2APOLB
SCHEMBL20572206 0.81 ELANE (0.65) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29425898 0.81 ELANE (0.65) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29896779 0.81 ELANE (0.65) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29425927 0.81 ELANE (0.65) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29426006 0.80 STAT3 (0.64) STAT3MEN1MAPTKMT2APOLB
Lamalbid SCHEMBL9056954 0.78 POLB (0.66) STAT3MEN1MAPTKMT2APOLB
SCHEMBL31179881 0.78 STAT3 (0.71) STAT3MEN1MAPTKMT2A
Chlorotuberoside SCHEMBL29425799 0.78 POLB (0.62) STAT3MEN1MAPTKMT2APOLB
SCHEMBL31179883 0.78 STAT3 (0.72) STAT3MEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113788869-B Preparation method of four iridoid glycoside compounds 深圳市人民医院 2023-04-28 — — 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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