SCHEMBL29425873

SCHEMBL29425873

C[C@@H]1C2C(C[C@@H]1OC(=O)/C=C/c1ccc(O)cc1)C(C(=O)O)=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.64
▸ STAT3 P40763 14/20 0.54
▸ HSP90AA1 P07900 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ELANE P08246 1/20 0.49

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
SCHEMBL31179934 0.92 MAPT (0.61) MAPTSTAT3HSP90AA1KDM4EGLA
SCHEMBL29408805 0.81 MAPT (0.65) MAPTSTAT3
SCHEMBL29441825 0.81 MAPT (0.65) MAPTSTAT3
SCHEMBL31467364 0.80 STAT3 (0.66) MAPTSTAT3ELANE
SCHEMBL29413889 0.79 MAPT (0.65) MAPTSTAT3
Loganic Acid SCHEMBL29426077 0.79 MAPT (1.00) MAPTSTAT3
Loganic Acid SCHEMBL31179995 0.79 MAPT (1.00) MAPTSTAT3
Loganic Acid SCHEMBL308008 0.79 MAPT (1.00) MAPTSTAT3
Arbortristoside C SCHEMBL422794 0.79 ELANE (0.62) MAPTSTAT3HSP90AA1ELANE
SCHEMBL420506 0.79 ELANE (0.62) MAPTSTAT3HSP90AA1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113834881-B Callicarpa nudiflora identification method 海南九芝堂药业有限公司 2023-10-31 — — CN claimed
CN-113834881-B Callicarpa nudiflora identification method 海南九芝堂药业有限公司 2023-10-31 — — CN disclosed
EP-4009892-A1 DYNAMIC BONE PLATE AND METHOD OF USE Paragon 28, Inc. (US) 2022-06-15 — — EP 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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