SCHEMBL28165293

SCHEMBL28165293

CC(C)(C)COC(=O)CCNC(=O)[C@H](O)C(C)(C)CO

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
KCNH2 Q12809 1/20 0.56
VNN1 O95497 13/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.35
AURKA O14965 1/20 0.32
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27616729 0.88 PTGS1 (0.59) PTGS1KCNH2VNN1ZDHHC20MEN1
SCHEMBL2000848 0.87 PTGS1 (0.52) PTGS1KCNH2VNN1AURKA
Pantothenic Acid SCHEMBL14126323 0.87 PTGS1 (0.52) PTGS1KCNH2VNN1AURKA
SCHEMBL7763866 0.87 PTGS1 (0.52) PTGS1KCNH2VNN1ZDHHC20AURKA
SCHEMBL2009906 0.87 PTGS1 (0.58) PTGS1KCNH2VNN1
SCHEMBL2009904 0.87 PTGS1 (0.58) PTGS1KCNH2VNN1
SCHEMBL4851665 0.86 PTGS1 (0.71) PTGS1KCNH2VNN1ZDHHC20AURKA
Ammonia Solution, Strong SCHEMBL27681737 0.85 PTGS1 (0.56) PTGS1KCNH2VNN1
SCHEMBL7524756 0.84 PTGS1 (0.63) PTGS1KCNH2VNN1
SCHEMBL7524751 0.84 PTGS1 (0.63) PTGS1KCNH2VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108420819-A New compositions for treating neurological disorder 法耐斯特公司 2018-08-21 CN disclosed
CN-108057033-A For treating the new compositions of amyotrophic lateral sclerosis 法耐斯特公司 2018-05-22 CN disclosed
CN-104487064-B Novel compositions for the treatment of amyotrophic lateral sclerosis 法耐斯特公司 2018-01-26 CN disclosed
CN-107106521-A New treatment for treating Parkinson's 法耐斯特公司 2017-08-29 CN disclosed