SCHEMBL29642990

SCHEMBL29642990

COc1cc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 8/20 0.85
▸ XDH P47989 1/20 0.61
▸ PRKCA P17252 3/20 0.51
▸ PTPN1 P18031 1/20 0.49
▸ SNCA P37840 1/20 0.46
▸ LDHA P00338 1/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ BACE1 P56817 1/20 0.43

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
Minecoside SCHEMBL29426074 0.94 HSP90AA1 (0.85) HSP90AA1XDHPRKCAPTPN1SNCA
SCHEMBL423457 0.93 HSP90AA1 (0.74) HSP90AA1XDHPRKCAPTPN1SNCA
Verminoside SCHEMBL29425838 0.92 HSP90AA1 (1.00) HSP90AA1XDHPRKCACYP3A4KDM4E
SCHEMBL422039 0.91 HSP90AA1 (0.71) HSP90AA1XDHPRKCAPTPN1SNCA
SCHEMBL29642977 0.89 HSP90AA1 (0.71) HSP90AA1XDHPRKCASNCALDHA
Specioside SCHEMBL29426185 0.88 HSP90AA1 (1.00) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL30519385 0.87 HSP90AA1 (0.64) HSP90AA1XDHPRKCASNCALDHA
Picroside Ii SCHEMBL24209283 0.86 HSP90AA1 (0.78) HSP90AA1XDHKDM4EL3MBTL1
Picroside Ii SCHEMBL24209282 0.86 HSP90AA1 (0.78) HSP90AA1XDHKDM4EL3MBTL1
Picroside Ii SCHEMBL29367651 0.86 HSP90AA1 (0.78) HSP90AA1XDHKDM4EL3MBTL1

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 20 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-116549472-A Application of Picroside III in preparation of medicines for preventing and/or treating inflammatory bowel disease 北京大学深圳医院(北京大学深圳临床医学院) 2023-08-08 — — CN claimed
CN-112946139-B Fingerprint spectrum of rhizoma picrorhizae medicinal preparation, and establishing method and application thereof 华润三九医药股份有限公司 2023-03-21 — — CN claimed
CN-113288907-B Application of iridoid compound in preparing anti-coronavirus medicine 五邑大学 2022-05-20 — — CN claimed
US-20250250647-A1 STABLE CELL CLONES HARBORING REPLICATING SARS-COV-2 RNA THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2025-08-07 — — US disclosed
CN-120131770-A Application of composition in preparation of medicine for improving mitochondrial dysfunction related diseases 陕西摩美得气血和制药有限公司 2025-06-13 — — CN disclosed
CN-120000633-A Application of 1, 5-dicaffeoylquinic acid in preparing medicine for improving and treating mitochondrial dysfunction related diseases 陕西摩美得气血和制药有限公司 2025-05-16 — — CN disclosed
CN-119970770-A Application of catalpol glycoside in preparing medicine for treating and relieving mitochondrial dysfunction related diseases 陕西摩美得气血和制药有限公司 2025-05-13 — — CN disclosed
CN-119395171-A Method for measuring components of bromhidrosis firewood leaf water extract 贵州医科大学 2025-02-07 — — CN disclosed
CN-117343112-A Preparation method of picrorhiza rhizome multi-component compound 山东新时代药业有限公司 2024-01-05 — — CN disclosed
CN-113834881-B Callicarpa nudiflora identification method 海南九芝堂药业有限公司 2023-10-31 — — CN disclosed
CN-116549472-A Application of Picroside III in preparation of medicines for preventing and/or treating inflammatory bowel disease 北京大学深圳医院(北京大学深圳临床医学院) 2023-08-08 — — CN disclosed
CN-116549472-A Application of Picroside III in preparation of medicines for preventing and/or treating inflammatory bowel disease 北京大学深圳医院(北京大学深圳临床医学院) 2023-08-08 — — CN disclosed
CN-116549472-A Application of Picroside III in preparation of medicines for preventing and/or treating inflammatory bowel disease 北京大学深圳医院(北京大学深圳临床医学院) 2023-08-08 — — CN disclosed
CN-116239639-A Iridoid compound and preparation method and application thereof 五邑大学 2023-06-09 — — CN disclosed
CN-112946139-B Fingerprint spectrum of rhizoma picrorhizae medicinal preparation, and establishing method and application thereof 华润三九医药股份有限公司 2023-03-21 — — CN disclosed
CN-112946139-B Fingerprint spectrum of rhizoma picrorhizae medicinal preparation, and establishing method and application thereof 华润三九医药股份有限公司 2023-03-21 — — CN disclosed
CN-113288907-B Application of iridoid compound in preparing anti-coronavirus medicine 五邑大学 2022-05-20 — — CN disclosed
CN-113288907-B Application of iridoid compound in preparing anti-coronavirus medicine 五邑大学 2022-05-20 — — CN disclosed
CN-109734759-B Catalpol derivative and application thereof 上海中医药大学 2022-05-10 — — CN disclosed
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