SCHEMBL29827955

SCHEMBL29827955

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 17/20 0.64
▸ MAPT P10636 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60

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
SCHEMBL29426006 0.80 STAT3 (0.64) STAT3MAPTMEN1KMT2A
SCHEMBL31179883 0.80 STAT3 (0.72) STAT3MAPTMEN1KMT2A
SCHEMBL29425809 0.80 STAT3 (0.72) STAT3MAPTMEN1KMT2A
SCHEMBL424262 0.79 ELANE (0.60) STAT3MAPTMEN1KMT2A
SCHEMBL421478 0.79 ELANE (0.60) STAT3MAPTMEN1KMT2A
SCHEMBL31179881 0.79 STAT3 (0.71) STAT3MAPTMEN1KMT2A
Arbortristoside C SCHEMBL422794 0.78 ELANE (0.62) STAT3MAPTMEN1KMT2A
SCHEMBL420506 0.78 ELANE (0.62) STAT3MAPTMEN1KMT2A
Loganin SCHEMBL23805434 0.78 STAT3 (1.00) STAT3MAPTMEN1KMT2A
Loganin SCHEMBL21114425 0.78 STAT3 (1.00) STAT3MAPTMEN1KMT2A

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-115925766-A Preparation method of balaneboside E reference substance 泰州医药城国科化物生物医药科技有限公司 2023-04-07 — — CN claimed
CN-115925766-A Preparation method of balaneboside E reference substance 泰州医药城国科化物生物医药科技有限公司 2023-04-07 — — CN disclosed
CN-115364241-A Lactoferrin-modified liposome, preparation method and application 上海圣石生物医学科技有限公司 2022-11-22 — — CN disclosed
CN-114796159-A Gastrodia elata micro-capsule and preparation method and application thereof 中山大学 2022-07-29 — — CN disclosed
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