SCHEMBL29425935

SCHEMBL29425935

O=C(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)c3ccccc3)=CC[C@H]12

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.61
▸ PTPN2 P17706 1/20 0.53
▸ PTPN11 Q06124 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ STAT3 P40763 1/20 0.44

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
SCHEMBL29425967 0.93 PTPN1 (0.61) PTPN1MAPTSTAT3
SCHEMBL31228947 0.88 PTPN1 (0.57) PTPN1MAPT
SCHEMBL29425955 0.86 PTPN1 (0.57) PTPN1MAPTSTAT3
Geniposidic Acid SCHEMBL227010 0.85 PTPN1 (0.70) PTPN1PTPN2PTPN11MAPTSTAT3
Tarenninoside B SCHEMBL29426136 0.84 PTPN1 (0.49) PTPN1PTPN2PTPN11MAPT
Ixoside SCHEMBL29474997 0.82 MAPT (0.63) PTPN1MAPTSTAT3
SCHEMBL29239574 0.81 PTPN1 (0.59) PTPN1MAPTSTAT3
SCHEMBL31228857 0.81 PTPN1 (0.59) PTPN1MAPTSTAT3
SCHEMBL31338951 0.80 MAPT (0.63) PTPN1MAPTSTAT3
SCHEMBL29425885 0.80 MAPT (0.63) PTPN1MAPTSTAT3

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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