SCHEMBL5490945

SCHEMBL5490945

CC(C)(C)OC(=O)/N=C(\NCCCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ADRA1A P35348 1/20 0.36
CAPN1 P07384 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
HTT P42858 1/20 0.35
PRMT1 Q99873 1/20 0.34

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
SCHEMBL2905985 1.00 MEN1 (0.43) MEN1GAAKMT2ATDP1MAOA
SCHEMBL18262806 0.96 TDP1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1795152 0.96 TDP1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12514747 0.96 TDP1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20122294 0.94 TDP1 (0.47) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12155283 0.94 TDP1 (0.47) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20191171 0.94 TDP1 (0.47) MEN1GAAKMT2ATDP1MAOA
SCHEMBL16322976 0.91 MEN1 (0.39) MEN1GAAKMT2ATDP1MAOA
SCHEMBL17234179 0.91 MEN1 (0.39) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1793511 0.91 MEN1 (0.39) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163921-B1 Peptide derivatives and medicinal compositions NIPPON SHINYAKU CO., LTD. (JP) 2007-01-16 US disclosed
EP-1275657-A1 PEPTIDE DERIVATIVES AND MEDICINAL COMPOSITIONS Nippon Shinyaku Co., Ltd. (JP) 2003-01-15 EP disclosed