SCHEMBL27629638

SCHEMBL27629638

CC(C)(C)C(=O)OC(=O)c1csc(C2CCNCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
BAZ2A Q9UIF9 2/20 0.40
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
HPGDS O60760 1/20 0.36
PLAT P00750 4/20 0.33
F2 P00734 2/20 0.33
CASP3 P42574 2/20 0.33
CASP8 Q14790 2/20 0.33
CASP7 P55210 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
KLKB1 P03952 1/20 0.32
HCRTR2 O43614 1/20 0.31
HTR2C P28335 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14379269 0.83 PLAT (0.45) AOC3BAZ2AGSK3BDYRK1AHPGDS
SCHEMBL31705780 0.83 PLAT (0.45) AOC3BAZ2AGSK3BDYRK1AHPGDS
SCHEMBL1228518 0.80 BAZ2A (0.52) AOC3BAZ2APLATCASP3CASP8
Bromide SCHEMBL5061856 0.79 BAZ2A (0.51) AOC3BAZ2APLATCASP3CASP8
Hydrochloric Acid SCHEMBL1119928 0.79 RAB9A (0.53) AOC3BAZ2APLATCASP3CASP8
SCHEMBL13997973 0.78 BAZ2A (0.52) AOC3BAZ2AGSK3BDYRK1AHPGDS
Hydrochloric Acid SCHEMBL2516985 0.77 BAZ2A (0.51) AOC3BAZ2AGSK3BDYRK1AHPGDS
SCHEMBL27789539 0.77 GPR119 (0.47) AOC3BAZ2AHPGDSMEN1KMT2A
SCHEMBL491211 0.77 HPGDS (0.46) AOC3BAZ2AGSK3BDYRK1AHPGDS
SCHEMBL27873725 0.77 AOC3 (0.50) AOC3BAZ2AHPGDSCASP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015026-B The Compounds and methods for of the antiport suppressing NHE to mediate in treatment with fluid retention or salt over loading relevant disease and gastroenteropathy MERCK PATENT GMBH (DE) 2015-11-25 CN claimed
CN-102015026-A Novel nip thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK PATENT GMBH 2011-04-13 CN claimed
CN-109862896-A For treating the Oxymethylene aryl compound of inflammatory gastrointestinal disease or gastrointestinal disorder 西玛贝医药公司 2019-06-07 CN disclosed
CN-102015026-B The Compounds and methods for of the antiport suppressing NHE to mediate in treatment with fluid retention or salt over loading relevant disease and gastroenteropathy MERCK PATENT GMBH (DE) 2015-11-25 CN disclosed
CN-101616586-B Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS INC 2014-08-13 CN disclosed
CN-102026636-B Oxymethylene aryl compounds and uses thereof METABOLEX INC 2014-07-16 CN disclosed
CN-101987847-B Novel heterocyclic NF-kB inhibitors 4SC AG 2012-10-10 CN disclosed
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
CN-102026636-A Oxymethylene aryl compounds and uses thereof METABOLEX INC 2011-04-20 CN disclosed
CN-102015026-A Novel nip thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK PATENT GMBH 2011-04-13 CN disclosed
CN-101987847-A Novel heterocyclic NF-kB inhibitors 4SC AG 2011-03-23 CN disclosed
CN-101616586-A The heterocyclic receptor agonists of treatment diabetes and metabolic disorder METABOLEX INC 2009-12-30 CN disclosed
CN-101405278-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-04-08 CN disclosed
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed
CN-1809560-A Thiazolylpiperidine derivatives as mtp inhibitors MERCK PATENT GMBH (DE) 2006-07-26 CN disclosed