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SCHEMBL22360998

SCHEMBL22360998

CO[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)cc3)[C@@H]3O[C@]3(CO)[C@H]2[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 8/20 0.73
▸ XDH P47989 1/20 0.46
▸ STAT3 P40763 8/20 0.42

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
SCHEMBL18319489 1.00 HSP90AA1 (0.73) HSP90AA1XDHSTAT3
SCHEMBL18330542 1.00 HSP90AA1 (0.73) HSP90AA1XDHSTAT3
SCHEMBL27425416 0.92 HSP90AA1 (0.61) HSP90AA1XDHSTAT3
SCHEMBL22360997 0.79 HSP90AA1 (0.48) HSP90AA1XDHSTAT3
Catalposide SCHEMBL419598 0.79 HSP90AA1 (1.00) HSP90AA1XDH
SCHEMBL8733913 0.75 HSP90AA1 (0.61) HSP90AA1
SCHEMBL382085 0.74 STAT3 (0.44) HSP90AA1STAT3
Picroside Ii SCHEMBL24209282 0.71 HSP90AA1 (0.78) HSP90AA1XDH
Picroside Ii SCHEMBL29367651 0.71 HSP90AA1 (0.78) HSP90AA1XDH
Picroside Ii SCHEMBL24209283 0.71 HSP90AA1 (0.78) HSP90AA1XDH

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-3310799-B1 A NOVEL COMPOUND (KS 513) ISOLATED FROM PSEUDOLYSIMACHION ROTUNDUM VAR. SUBINTEGRUM AND THE COMPOSITION COMPRISING THE SAME AS AN ACTIVE INGREDIENT FOR PREVENTING OR TREATING ALLERGY DISEASE, INFLAMMATORY DISEASE, ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE YUNGJIN PHARMACEUTICAL CO LTD (KR) 2020-08-26 — — EP claimed
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