SCHEMBL29445531

SCHEMBL29445531

COc1cc([C@@H]2[C@@H](C)[C@@H]3C(=O)Oc4cc5occc5c(OC)c4[C@@H]32)cc2c1OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP1A1 P04798 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL31238064 0.66 CYP1A1 (0.75) ALDH1A1HSD17B10HPGDKDM4ECYP1A1
SCHEMBL15240428 0.61 ACHE (0.58) ACHEALDH1A1HSD17B10POLBHPGD
SCHEMBL29574705 0.61 ACHE (0.58) ACHEALDH1A1HSD17B10POLBHPGD
Diasesartemin SCHEMBL17385613 0.61 ACHE (1.00) ACHEHPGDCYP3A4MAPTMAPK1
Diasesartemin SCHEMBL17385610 0.61 ACHE (1.00) ACHEHPGDCYP3A4MAPTMAPK1
Diasesartemin SCHEMBL17385614 0.61 ACHE (1.00) ACHEHPGDCYP3A4MAPTMAPK1
Diasesartemin SCHEMBL17399779 0.61 ACHE (1.00) ACHEHPGDCYP3A4MAPTMAPK1
Diasesartemin SCHEMBL17385619 0.61 ACHE (1.00) ACHEHPGDCYP3A4MAPTMAPK1
Diasesartemin SCHEMBL17385609 0.61 ACHE (1.00) ACHEHPGDCYP3A4MAPTMAPK1
Diasesartemin SCHEMBL17385615 0.61 ACHE (1.00) ACHEHPGDCYP3A4MAPTMAPK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118403024-A Lindley eupatorium herb effervescent tablet and preparation method thereof 淮阴工学院 2024-07-30 — — CN claimed
CN-117919337-A Asthma relieving capsule and preparation method thereof 江苏七〇七天然制药有限公司 2024-04-26 — — CN claimed
CN-117045694-B Application of eupatorium or extract thereof in preparation of medicines for treating intestinal flora disorder 重庆医科大学 2024-01-26 — — CN claimed
CN-116459287-A Application of lindley eupatorium herb ethanol extract and flavone part thereof in preparation of medicines for preventing or treating ulcerative colitis 苏州大学 2023-07-21 — — CN claimed
CN-115104397-A Vegetation recovery construction process for chestnut calcium soil arid region backfilled by replacing foreign soil with plant growing matrix 国家电网有限公司特高压建设分公司 2022-09-27 — — CN claimed
CN-114668804-A Miao medicine liquid formula for solving inflammation 贵州韩健金方苗药有限公司 2022-06-28 — — CN claimed
CN-119386070-A Method for extracting extracts with different proportions from eupatorium lindley 淮阴工学院 2025-02-07 — — CN disclosed
CN-116375670-B Sesquiterpene lactone compound extracted and separated from eupatorium, and method and application thereof 成都普思生物科技股份有限公司 2024-12-13 — — CN disclosed
CN-118403024-A Lindley eupatorium herb effervescent tablet and preparation method thereof 淮阴工学院 2024-07-30 — — CN disclosed
CN-117919337-A Asthma relieving capsule and preparation method thereof 江苏七〇七天然制药有限公司 2024-04-26 — — CN disclosed
CN-117919337-A Asthma relieving capsule and preparation method thereof 江苏七〇七天然制药有限公司 2024-04-26 — — CN disclosed
CN-116354912-B Compound and application thereof in serving as or preparing ABCG2 agonist 杭州亦坚生物医药科技有限公司 2023-11-14 — — CN disclosed
CN-116350624-B Application of compound in serving as or preparing SIRT1 receptor agonist 杭州亦坚生物医药科技有限公司 2023-10-10 — — CN disclosed
CN-114216978-B Construction method of fingerprint of lindley eupatorium herb formula particle, standard fingerprint and application thereof 神威药业集团有限公司 2023-04-04 — — CN disclosed
CN-114432298-B Application of eupatorium lindleyanum sesquiterpene lactone in preparation of medicine for preventing or treating pulmonary fibrosis 苏州大学 2023-03-24 — — CN disclosed
CN-115385527-A Ecological restoration system of landscape water body 惠州市环境科学研究所 2022-11-25 — — CN disclosed
CN-115104397-A Vegetation recovery construction process for chestnut calcium soil arid region backfilled by replacing foreign soil with plant growing matrix 国家电网有限公司特高压建设分公司 2022-09-27 — — CN disclosed
CN-114668804-A Miao medicine liquid formula for solving inflammation 贵州韩健金方苗药有限公司 2022-06-28 — — CN disclosed
CN-114432298-A Application of eupatorium lindleyanum sesquiterpene lactone in preparation of medicine for preventing or treating pulmonary fibrosis 苏州大学 2022-05-06 — — CN disclosed
CN-114295756-A Content detection method of 'Anchuan' tablets 江苏七○七天然制药有限公司 2022-04-08 — — CN disclosed
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