SCHEMBL28005991

SCHEMBL28005991

CCCCC(Cl)OC(=O)C(C)C(=O)OC(Cl)CCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA1 P00915 3/20 0.41
FAAH O00519 5/20 0.40
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK1 P28482 2/20 0.36
CTSK P43235 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
MAPT P10636 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
SCHEMBL28942348 0.86 CA1 (0.40) CA2CA1FAAHLMNATSHR
SCHEMBL28014256 0.85 SLC15A1 (0.43) CA2CA1FAAHLMNATSHR
SCHEMBL27923447 0.84 CA2 (0.41) CA2CA1LMNATSHRCYP3A4
SCHEMBL27737209 0.84 CA2 (0.41) CA2CA1FAAHTSHRCYP3A4
Acetone SCHEMBL27686377 0.83 FAAH (0.38) CA2CA1FAAHLMNATSHR
Hydrochloric Acid SCHEMBL28481819 0.83 SLC15A1 (0.42) CA2CA1FAAHLMNATSHR
SCHEMBL27193080 0.82 DPP7 (0.43) CA2CA1FAAHLMNATSHR
SCHEMBL28254027 0.82 SLC15A1 (0.38) CA2CA1FAAHLMNAMAPT
SCHEMBL27576843 0.82 FAAH (0.45) CA2CA1FAAHLMNATSHR
SCHEMBL7207177 0.81 CA2 (0.41) CA2CA1FAAHLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083839-B A kind of preparation method of Dasatinib compound 山东罗欣药业集团恒欣药业有限公司 2019-02-15 CN claimed
CN-106083839-A A kind of preparation method of Dasatinib compound 山东罗欣药业集团股份有限公司 2016-11-09 CN claimed
CN-102816175-B A kind of heterocycle pyridine compounds, its intermediate, preparation method and purposes SHANGHAI HUILUN TECHNOLOGY CO., LTD. (CN) 2015-12-16 CN claimed
CN-112105600-B Calixarene compound, curable composition, and cured product DIC株式会社 2023-08-25 CN disclosed
CN-106083839-B A kind of preparation method of Dasatinib compound 山东罗欣药业集团恒欣药业有限公司 2019-02-15 CN disclosed
CN-106083839-B A kind of preparation method of Dasatinib compound 山东罗欣药业集团恒欣药业有限公司 2019-02-15 CN disclosed
CN-105859923-B Olefin polymerization catalyst component, preparation method thereof and catalyst thereof 中国石油天然气股份有限公司 2018-07-13 CN disclosed
CN-104405354-B A kind of improved thick oil thermal recovery method and device 西南石油大学 2017-03-15 CN disclosed
CN-106083839-A A kind of preparation method of Dasatinib compound 山东罗欣药业集团股份有限公司 2016-11-09 CN disclosed
CN-106083839-A A kind of preparation method of Dasatinib compound 山东罗欣药业集团股份有限公司 2016-11-09 CN disclosed
CN-106083804-A A kind of synthetic method of octatomic ring lactone compound 扬州大学 2016-11-09 CN disclosed
CN-105859923-A Olefin polymerization catalyst component, preparation method thereof and catalyst thereof 中国石油天然气股份有限公司 2016-08-17 CN disclosed
CN-102816175-B A kind of heterocycle pyridine compounds, its intermediate, preparation method and purposes SHANGHAI HUILUN TECHNOLOGY CO., LTD. (CN) 2015-12-16 CN disclosed
CN-104405354-A Improved heavy oil thermal recovery method and device UNIV SOUTHWEST PETROLEUM 2015-03-11 CN disclosed