SCHEMBL16421133

SCHEMBL16421133

CC1=CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 9/20 0.56
▸ TDO2 P48775 8/20 0.56
▸ EED O75530 6/20 0.56
▸ SUZ12 Q15022 6/20 0.56
▸ EZH2 Q15910 6/20 0.56
▸ HIF1A Q16665 3/20 0.56
▸ EPAS1 Q99814 3/20 0.56
▸ CES2 O00748 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CES1 P23141 2/20 0.56
▸ PTPN6 P29350 2/20 0.56
▸ PTPN11 Q06124 2/20 0.56
▸ NSD1 Q96L73 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ APAF1 O14727 1/20 0.56
▸ TERT O14746 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56

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
SCHEMBL29365561 0.91 EED (0.51) IDO1TDO2EEDSUZ12EZH2
SCHEMBL29620616 0.91 EED (0.51) IDO1TDO2EEDSUZ12EZH2
SCHEMBL28735995 0.91 EED (0.51) IDO1TDO2EEDSUZ12EZH2
SCHEMBL29754427 0.91 EED (0.51) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16152317 0.80 EED (0.62) IDO1TDO2EEDSUZ12EZH2
SCHEMBL14417727 0.78 EED (0.60) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16023774 0.77 EED (0.66) IDO1TDO2EEDSUZ12EZH2
SCHEMBL30978884 0.73 IDO1 (0.61) IDO1TDO2EEDSUZ12EZH2
SCHEMBL16421134 0.72 EED (0.56) IDO1TDO2EEDSUZ12EZH2
Tanshinone Iia SCHEMBL2026738 0.72 EED (1.00) IDO1TDO2EEDSUZ12EZH2

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 10 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-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
CN-119224198-A System and method for detecting secondary metabolite in sweating process based on red sage root 山东中医药大学 2024-12-31 — — CN disclosed
CN-118064391-A Biological material for regulating and controlling CYP71BE37 gene expression of salvia miltiorrhiza and application thereof 中国中医科学院中药研究所 2024-05-24 — — 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-110420202-B Application of abietane tricyclic diterpene active compounds in preparation of antitumor drugs 浙江中医药大学附属第一医院 2022-12-20 — — 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
EP-2829880-A1 Method for identifying modulators of BCRP/ABCG2-mediated ATP release and use of said modulators for treating diseases Energeia Biosciences (NL) 2015-01-28 — — EP disclosed
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