SCHEMBL27771663

SCHEMBL27771663

CC(C)(C)NC(=O)OC1CC(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
DPP4 P27487 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CCNE1 P24864 6/20 0.32
CDK2 P24941 6/20 0.32
GAA P10253 1/20 0.32
GSK3B P49841 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 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
SCHEMBL4102568 0.86 DPP4 (0.40) DPP4CCNE1CDK2GSK3B
SCHEMBL27821593 0.86 THRB (0.34) GBA1DPP4CCNE1CDK2GSK3B
SCHEMBL13774735 0.86 DPP4 (0.40) DPP4CCNE1CDK2GSK3B
SCHEMBL28348910 0.83 THRB (0.42) GBA1DPP4TSHRMAPK1CCNE1
SCHEMBL27698362 0.83 THRB (0.42) GBA1DPP4TSHRMAPK1CCNE1
SCHEMBL28457660 0.82 EPHX1 (0.38) GBA1DPP4TSHRSMN1; SMN2
SCHEMBL25277512 0.81 EPHX1 (0.36) DPP4CCNE1CDK2GSK3BSMN1; SMN2
SCHEMBL28112921 0.80 DPP4 (0.34) DPP4MAPK1CCNE1CDK2GSK3B
SCHEMBL7815595 0.79 EPHX1 (0.42) DPP4CCNE1CDK2GSK3BSMN1; SMN2
SCHEMBL28791460 0.79 FABP7 (0.43) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848423-B Preparation method of tert-butyl 3-oxocyclobutylcarbamate 尚科生物医药(上海)有限公司 2022-10-14 CN disclosed
CN-109305976-B Compounds as ACC inhibitors and uses thereof 南京圣和药业股份有限公司 2022-07-01 CN disclosed
CN-110959007-B Compounds as ACC inhibitors and uses thereof 南京圣和药业股份有限公司 2022-07-01 CN disclosed
CN-111670187-B Beta-lactamase inhibitor and use thereof 苏州信诺维医药科技有限公司 2021-04-16 CN disclosed
CN-111848423-A Preparation method of tert-butyl 3-oxocyclobutylcarbamate 尚科生物医药(上海)有限公司 2020-10-30 CN disclosed
CN-111670187-A Beta-lactamase inhibitor and use thereof 苏州信诺维医药科技有限公司 2020-09-15 CN disclosed
CN-110959007-A Compounds as ACC inhibitors and uses thereof 南京圣和药业股份有限公司 2020-04-03 CN disclosed
CN-110194770-A Peptide acyl arginine deiminase inhibitor and application thereof 南京药捷安康生物科技有限公司 2019-09-03 CN disclosed
CN-109305976-A Compound and its application as ACC inhibitor 南京圣和药业股份有限公司 2019-02-05 CN disclosed
CN-107529748-A Molecule with desinsection effectiveness, and relative intermediate, composition and method 美国陶氏益农公司 2018-01-02 CN disclosed
CN-106188027-A Heteroaromatic analog derivative and the application in medicine thereof 广东东阳光药业有限公司 2016-12-07 CN disclosed
CN-104136411-B Therapeutically active compounds and methods of use thereof 安吉奥斯医药品有限公司 2016-10-12 CN disclosed
CN-103635456-B Tigecycline derivatives KBP BIOSCIENCES Co.,Ltd. (CN) 2016-03-09 CN disclosed
CN-103717571-B The tetracycline compound that 9-amino methyl replaces KBP BIOSCIENCES Co.,Ltd. (CN) 2016-01-13 CN disclosed
CN-104487431-A Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN LA ROCHE 2015-04-01 CN disclosed
CN-104334558-A 1,3, 4-oxadiazole and 1,3, 4-thiadiazole beta-lactamase inhibitors CUBIST PHARM INC 2015-02-04 CN disclosed
CN-103814030-A Pyrrolopyrimidine and purine derivatives PFIZER 2014-05-21 CN disclosed
CN-101595094-B Cycloalkylamine substituted isoquinolone derivatives SANOFI AVENTIS 2013-02-20 CN disclosed
CN-102596963-A Ether derivatives of bicyclic heteroaryls NOVARTIS AG 2012-07-18 CN disclosed
CN-101595094-A The isoquinolone derivatives that Cycloalkyl amine replaces SANOFI AVENTIS (FR) 2009-12-02 CN disclosed