SCHEMBL585232

SCHEMBL585232

CCCCCCC(CC)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.56
CA1 P00915 4/20 0.56
MAPK1 P28482 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.44
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
SMPD1 P17405 3/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL28491401 1.00 CA2 (0.56) CA2CA1MAPK1ZDHHC7GAA
SCHEMBL28497772 1.00 CA2 (0.56) CA2CA1MAPK1ZDHHC7GAA
SCHEMBL1725609 1.00 CA2 (0.56) CA2CA1MAPK1ZDHHC7GAA
SCHEMBL190801 1.00 CA2 (0.56) CA2CA1MAPK1ZDHHC7GAA
Hydrochloric Acid SCHEMBL27586576 0.98 CA2 (0.55) CA2CA1MAPK1ZDHHC7GAA
Hydrochloric Acid SCHEMBL27649377 0.98 CA2 (0.55) CA2CA1MAPK1ZDHHC7GAA
Hydrochloric Acid SCHEMBL27649378 0.98 CA2 (0.55) CA2CA1MAPK1ZDHHC7GAA
Ethane SCHEMBL28789613 0.98 CA2 (0.55) CA2CA1MAPK1ZDHHC7GAA
SCHEMBL3836421 0.98 CA2 (0.58) CA2CA1MAPK1ZDHHC7GAA
Oxalic Acid SCHEMBL28618643 0.95 CA2 (0.51) CA2CA1MAPK1ZDHHC7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118056816-A Pyrazole-3-ketone derivative, and preparation method and application thereof 沈阳药科大学 2024-05-21 CN claimed
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 CN claimed
CN-115989223-A Methods and compositions for targeting Tregs using CCR8 inhibitors 南京艾美斐生物医药科技有限公司 2023-04-18 CN claimed
CN-115551831-A CYP11A1 inhibitor 奥赖恩公司 2022-12-30 CN claimed
CN-115315424-A 2-methyl-aza-quinazolines 拜耳公司 2022-11-08 CN claimed
CN-113278021-B Preparation method of 1, 7-diazaspiro [3.5] nonane-7-tert-butyl formate and oxalate thereof 天津全和诚科技有限责任公司 2022-09-23 CN claimed
CN-113278021-A Preparation method of 1, 7-diazaspiro [3.5] nonane-7-tert-butyl formate and oxalate thereof 天津全和诚科技有限责任公司 2021-08-20 CN claimed
CN-113214256-A Synthesis method of 1, 7-diazaspiro [3.5] nonane-7-tert-butyl formate 上海合全药业股份有限公司 2021-08-06 CN claimed
CN-105732638-B A kind of bruton's tyrosine kinase inhibitor with loop coil or caged scaffold and preparation method thereof 成都倍特药业有限公司 2018-01-30 CN claimed
CN-105732638-A Bruton tyrosine kinase inhibitor with spiro or bridge ring structure and preparation method thereof 成都倍特药业有限公司 2016-07-06 CN claimed
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed
CN-118344370-A Isoindolinone and indazole compounds for EGFR degradation C4医药公司 2024-07-16 CN disclosed
CN-118302426-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2024-07-05 CN disclosed
CN-118284608-A Compounds as BCL-2 inhibitors 重庆复创医药研究有限公司 2024-07-02 CN disclosed
CN-118215661-A Compounds as BCL-2 inhibitors 重庆复创医药研究有限公司 2024-06-18 CN disclosed
CN-1399639-A Novel oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-02-26 CN disclosed
CN-1370166-A Novel bispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-18 CN disclosed
CN-1290167-A Dried or frozen pharmaceutical prepartion containing class III antiarrhythmic compound ASTRAZENECA AB (SE) 2001-04-04 CN disclosed
CN-1284956-A Novel bispidine antiarrhythmic compounds ASTRA ZENECA AKTIEBOLAG (SE) 2001-02-21 CN disclosed
CN-1275124-A Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2000-11-29 CN disclosed