SCHEMBL29425906

SCHEMBL29425906

C=C1CC[C@H]2C(C=O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 8/20 0.49
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PTPN1 P18031 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL29425890 0.84 STAT3 (0.46) STAT3MAPTL3MBTL1PTPN1
SCHEMBL29425791 0.80 PTPN1 (0.47) STAT3MAPTPTPN1MEN1KMT2A
SCHEMBL9058000 0.79 MAPT (0.53) STAT3MAPTMEN1KMT2A
SCHEMBL9058007 0.76 POLB (0.46) STAT3MAPTMEN1KMT2A
SCHEMBL422936 0.75 L3MBTL1 (0.47) STAT3MAPTL3MBTL1PTPN1MEN1
SCHEMBL29426048 0.69 MAPT (0.63) STAT3MAPTPTPN1MEN1KMT2A
Ixoside SCHEMBL29474997 0.67 MAPT (0.63) STAT3MAPTPTPN1MEN1KMT2A
Trehalose SCHEMBL25304700 0.67 MEN1 (0.57) MAPTL3MBTL1PTPN1MEN1KMT2A
SCHEMBL5357747 0.67 MEN1 (0.57) MAPTL3MBTL1PTPN1MEN1KMT2A
SCHEMBL5081689 0.67 MEN1 (0.57) MAPTL3MBTL1PTPN1MEN1KMT2A

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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