SCHEMBL30289923

SCHEMBL30289923

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]2C[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 17/20 0.66
▸ MEN1 O00255 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ POLB P06746 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54

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
SCHEMBL29426048 0.89 MAPT (0.63) STAT3MEN1MAPTKMT2A
SCHEMBL29425943 0.83 STAT3 (0.58) STAT3MEN1MAPTKMT2APOLB
SCHEMBL29425890 0.81 STAT3 (0.46) STAT3MAPT
Geniposide SCHEMBL16264978 0.80 PTPN1 (0.70) STAT3MEN1MAPTKMT2A
Geniposide SCHEMBL21765150 0.80 PTPN1 (0.70) STAT3MEN1MAPTKMT2A
Geniposide SCHEMBL28006822 0.80 PTPN1 (0.70) STAT3MEN1MAPTKMT2A
Geniposide SCHEMBL17776267 0.80 PTPN1 (0.70) STAT3MEN1MAPTKMT2A
SCHEMBL29425759 0.80 STAT3 (0.73) STAT3MEN1MAPTKMT2A
Loganin SCHEMBL23805433 0.79 STAT3 (1.00) STAT3MEN1MAPTKMT2A
SCHEMBL31179904 0.79 STAT3 (0.82) 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 1 patent. 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
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