SCHEMBL6438101

SCHEMBL6438101

CC(=O)OCC(C1CCCCC1)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SLC6A3 Q01959 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL8362002 0.84 ALOX15 (0.34) EPHX1ALDH1A1NPSR1SLC6A3TSHR
SCHEMBL9786408 0.75 EPHX1 (0.36) EPHX1TDP1ALDH1A1NPSR1TP53
SCHEMBL7186593 0.75 TP53 (0.45) EPHX1TDP1ALDH1A1NPSR1TP53
SCHEMBL628290 0.75 SHBG (0.39) EPHX1TDP1ALDH1A1NPSR1SLC6A3
SCHEMBL11384102 0.74 EPHX1 (0.35) EPHX1TDP1ALDH1A1NPSR1TSHR
SCHEMBL28955084 0.73 TDP1 (0.37) EPHX1TDP1ALDH1A1NPSR1TSHR
SCHEMBL29037418 0.72 ALDH1A1 (0.36) EPHX1ALDH1A1NPSR1SLC6A3EPHX2
SCHEMBL8618781 0.72 TDP1 (0.42) EPHX1TDP1ALDH1A1NPSR1TSHR
SCHEMBL5273478 0.71 ALDH1A1 (0.42) EPHX1TDP1ALDH1A1NPSR1TSHR
SCHEMBL28879385 0.71 EPHX1 (0.39) EPHX1ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117269372-A Quality detection method of Zhuang medicine Luo Qianyu cataplasm 广西中医药大学 2023-12-22 CN claimed
CN-115327018-A Method for identifying multiple components in traditional Chinese medicine composition 河北以岭医药研究院有限公司 2022-11-11 CN claimed
CN-101187651-B Detection method of tongsaimai formualtion JIANGSU NANXING PHARMACEUTICAL CO LTD 2012-06-13 CN claimed
CN-101773592-B Method fro controlling quality of pill of six ingredients with rehmannia BEIJING ASIA EAST BIO PHARM CO 2012-04-25 CN claimed
CN-101199605-B Detection method of Chinese medicine granules for treating diabetes SHANDONG BUCHANG PHARMACEUTICAL SCIENCE AND TECHNOLOGY DEV CO LTD 2011-07-20 CN claimed
CN-101062294-B Method for detecting the quality of the medicine combination for treating cerebral apoplexy and vasculitis JIANGSU NANXING PHARMACEUTICAL CO LTD 2010-06-09 CN claimed
CN-101187651-A Chinese traditional medicine quality control method NANXING DRUG INDUSTRY CO LTD (CN) 2008-05-28 CN claimed
CN-100370251-C Quality control method for liuwei Dihuang soft extract JIANGZHONG PHARMACY CO LTD (CN) 2008-02-20 CN claimed
CN-1246694-C Method for constituting finger-print pyrogram of white atracty lodes and its standard finger-print pyrogram UNIV ZHONGSHAN (CN) 2006-03-22 CN claimed
CN-1609609-A Quality control method for liuwei Dihuang soft extract JIANGZHONG PHARMACY CO LTD JIA (CN) 2005-04-27 CN claimed
CN-1184985-C Formulation of tumor treating capsule, and inspecting method thereof LI ZISHAN (CN) 2005-01-19 CN claimed
CN-1529162-A Method for constituting finger-print pyrogram of white atracty lodes and its standard finger-print pyrogram 中山大学 2004-09-15 CN claimed
CN-1401349-A Formulation of tumor treating capsule, and inspecting method thereof LI ZISHAN (CN) 2003-03-12 CN claimed
CN-117269372-A Quality detection method of Zhuang medicine Luo Qianyu cataplasm 广西中医药大学 2023-12-22 CN disclosed
CN-114384165-B Quality control method of osmanthus dragon ointment 广西邦琪药业集团有限公司 2023-05-16 CN disclosed
CN-115327018-A Method for identifying multiple components in traditional Chinese medicine composition 河北以岭医药研究院有限公司 2022-11-11 CN disclosed
CN-1184985-C Formulation of tumor treating capsule, and inspecting method thereof LI ZISHAN (CN) 2005-01-19 CN disclosed
CN-1529162-A Method for constituting finger-print pyrogram of white atracty lodes and its standard finger-print pyrogram 中山大学 2004-09-15 CN disclosed
CN-1401349-A Formulation of tumor treating capsule, and inspecting method thereof LI ZISHAN (CN) 2003-03-12 CN disclosed
US-4737505-A Analgesic 4-substituted indoles ROUSSEL UCLAF (FR) 1988-04-12 US disclosed