SCHEMBL5712419

SCHEMBL5712419

CC(C)CC(C(=O)N[C@H](C=O)CC(C)C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.54
CTSB P07858 5/20 0.52
MMP1 P03956 3/20 0.47
MMP3 P08254 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP2 P08253 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CTSL P07711 1/20 0.45
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43

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
SCHEMBL25259821 0.94 PSMB1 (0.49) CAPN1CTSBMMP1MMP3MMP9
SCHEMBL6465336 0.94 PSMB1 (0.49) CAPN1CTSBMMP1MMP3MMP9
SCHEMBL30450002 0.94 PSMB1 (0.49) CAPN1CTSBMMP1MMP3MMP9
SCHEMBL5712422 0.93 CTSB (0.61) CAPN1CTSBMMP1MMP3PSMB1
Carbamic Acid SCHEMBL30450803 0.91 CAPN1 (0.48) CAPN1CTSBMMP1MMP3CTSL
SCHEMBL4968073 0.82 MME (0.59) MMP1MMP3MEN1KMT2AMMP2
SCHEMBL17653337 0.76 MEN1 (0.51) MMP1MMP3MEN1KMT2AMMP2
SCHEMBL20603581 0.75 PSMB5 (0.50) MMP1MMP3MMP2MMP7MMP9
SCHEMBL20741008 0.75 CTSK (0.48) MMP1MMP3MMP2MMP7MMP9
SCHEMBL20741006 0.75 CTSK (0.48) MMP1MMP3MMP2MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337269-B1 ASSOCIATION OF CALPAIN INHIBITORS AND REACTIVE OXYGEN SPECIES TRAPPING AGENTS SOD CONSEILS RECH APPLIC (FR) 2006-11-08 EP claimed