SCHEMBL29538928

SCHEMBL29538928

Cc1coc2c1C(=O)c1ccc3c(c1C2=O)CCCC3(C)C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 5/20 0.84
▸ SUZ12 Q15022 5/20 0.84
▸ EZH2 Q15910 5/20 0.84
▸ MEN1 O00255 5/20 0.84
▸ ALDH1A1 P00352 5/20 0.84
▸ KMT2A Q03164 5/20 0.84
▸ HIF1A Q16665 4/20 0.84
▸ EPAS1 Q99814 4/20 0.84
▸ CES2 O00748 4/20 0.84
▸ HPGD P15428 4/20 0.84
▸ HSD17B10 Q99714 4/20 0.84
▸ KDM4E B2RXH2 3/20 0.84
▸ MAPT P10636 3/20 0.84
▸ RECQL P46063 3/20 0.84
▸ TDP1 Q9NUW8 3/20 0.84
▸ POLB P06746 2/20 0.84
▸ CES1 P23141 2/20 0.84
▸ PTPN6 P29350 2/20 0.84
▸ PTPN11 Q06124 2/20 0.84
▸ NSD1 Q96L73 2/20 0.84

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
SCHEMBL16023777 1.00 EED (0.84) EEDSUZ12EZH2MEN1ALDH1A1
Tanshinone Iia SCHEMBL2026738 0.91 EED (1.00) EEDSUZ12EZH2MEN1ALDH1A1
Isotanshinone Iib SCHEMBL30381469 0.85 EED (0.85) EEDSUZ12EZH2MEN1ALDH1A1
SCHEMBL16152326 0.79 EED (0.78) EEDSUZ12EZH2MEN1ALDH1A1
Przewaquinone A SCHEMBL16152272 0.77 IDO1 (1.00) EEDSUZ12EZH2MEN1ALDH1A1
Tanshinone Iib SCHEMBL11945767 0.76 EED (1.00) EEDSUZ12EZH2MEN1ALDH1A1
Tanshinone Iib SCHEMBL14417728 0.76 EED (1.00) EEDSUZ12EZH2MEN1ALDH1A1
SCHEMBL25704333 0.75 EED (0.65) EEDSUZ12EZH2MEN1ALDH1A1
SCHEMBL17663613 0.75 EED (0.77) EEDSUZ12EZH2MEN1ALDH1A1
Methyl Tanshinonate SCHEMBL16152293 0.75 EED (1.00) EEDSUZ12EZH2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118021812-A Nidaminib targeting compositions 北京睿创康泰医药研究院有限公司 2024-05-14 — — CN claimed
CN-113005130-B Tanshinone IIA synthase gene and application thereof 上海辰山植物园 2022-07-08 — — CN claimed
CN-119380826-B Chinese patent medicine network pharmacology analysis method and model construction method based on multiscale information entropy 首都医科大学附属北京朝阳医院 2025-04-08 — — CN disclosed
CN-119380826-A Chinese patent medicine network pharmacology analysis method and model construction method based on multiscale information entropy 首都医科大学附属北京朝阳医院 2025-01-28 — — CN disclosed
US-20240374666-A1 COMPOSITIONS FOR PREVENTING AND/OR REDUCING VIRAL INFECTION FIRMENICH SA (CH) 2024-11-14 — — US disclosed
CN-118414157-A Composition for preventing and/or reducing viral infection 弗门尼舍有限公司 2024-07-30 — — CN disclosed
CN-118021812-A Nidaminib targeting compositions 北京睿创康泰医药研究院有限公司 2024-05-14 — — CN disclosed
CN-117860806-A Pharmaceutical composition for dredging collaterals and protecting heart, preparation method thereof and pharmaceutical composition for dredging collaterals and protecting heart 九华华源药业(桂林)有限公司 2024-04-12 — — CN disclosed
CN-115025146-A Application of salvia miltiorrhiza and pseudo-ginseng composition in preparation of medicine for treating osteoporosis 山东省科学院生物研究所 2022-09-09 — — CN disclosed
CN-112098563-B Detection method for chemical components of kidney-tonifying and blood-activating formula 中国中医科学院望京医院(中国中医科学院骨伤科研究所) 2022-07-15 — — CN disclosed
CN-113005130-B Tanshinone IIA synthase gene and application thereof 上海辰山植物园 2022-07-08 — — CN disclosed
CN-114392298-A Double-fermentation extraction process and preparation method of salvia miltiorrhiza root and cotton rose hibiscus leaf 云南柏脉生物科技有限公司昆明分公司 2022-04-26 — — CN disclosed
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