SCHEMBL8056145

SCHEMBL8056145

C=COC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA14 Q9ULX7 1/20 0.40
CA1 P00915 3/20 0.39
CA7 P43166 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14742682 0.84 TDP1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL2721414 0.83 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL5136229 0.82 SMN1; SMN2 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14742742 0.82 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14742308 0.80 TDP1 (0.55) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL125503 0.80 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL2348040 0.79 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL14742530 0.78 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3187413 0.78 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL523837 0.78 CA2 (0.59) TDP1MAOAMAOBMEN1KMT2A

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
US-6069272-A Simplified method for the production of vinyl glycine (2-aminobut-3-enoic acid) and a convenient resolution of a derivative HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-30 US claimed
EP-0559927-B1 A simplified method for the production of vinyl glycine (2-aminobut-3-enioc acid) and a convenient resolution of a derivative HOECHST AG (DE) 1997-03-05 EP claimed
EP-0559927-A1 A simplified method for the production of vinyl glycine (2-aminobut-3-enioc acid) and a convenient resolution of a derivative Hoechst Schering AgrEvo GmbH (DE) 1993-09-15 EP claimed
US-9688789-B2 Degradable polycations derived from amino acid vinyl esters NATIONAL SCIENCE FOUNDATION (US) 2017-06-27 US disclosed
US-9688789-B2 Degradable polycations derived from amino acid vinyl esters NATIONAL SCIENCE FOUNDATION (US) 2017-06-27 US disclosed
US-20140296462-A1 DEGRADABLE POLYCATIONS DERIVED FROM AMINO ACID VINYL ESTERS WISCONSIN ALUMNI RESEARCH FOUNDATION 2014-10-02 US disclosed
US-20140296462-A1 DEGRADABLE POLYCATIONS DERIVED FROM AMINO ACID VINYL ESTERS WISCONSIN ALUMNI RESEARCH FOUNDATION 2014-10-02 US disclosed
US-8796405-B2 Degradable polycations derived from amino acid vinyl esters NATIONAL SCIENCE FOUNDATION 2014-08-05 US disclosed
US-8796405-B2 Degradable polycations derived from amino acid vinyl esters NATIONAL SCIENCE FOUNDATION 2014-08-05 US disclosed
US-20130184423-A1 DEGRADABLE POLYCATIONS DERIVED FROM AMINO ACID VINYL ESTERS WISCONSIN ALUMINI RESEARCH FOUNDATION (US) 2013-07-18 US disclosed
US-20130184423-A1 DEGRADABLE POLYCATIONS DERIVED FROM AMINO ACID VINYL ESTERS WISCONSIN ALUMINI RESEARCH FOUNDATION (US) 2013-07-18 US disclosed
US-6069272-A Simplified method for the production of vinyl glycine (2-aminobut-3-enoic acid) and a convenient resolution of a derivative HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
EP-0559927-B1 A simplified method for the production of vinyl glycine (2-aminobut-3-enioc acid) and a convenient resolution of a derivative HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0559927-A1 A simplified method for the production of vinyl glycine (2-aminobut-3-enioc acid) and a convenient resolution of a derivative Hoechst Schering AgrEvo GmbH (DE) 1993-09-15 EP disclosed