SCHEMBL1023116

SCHEMBL1023116

CC(C)(C)OC(=O)NCCC[C@@H](CNC(=O)[C@H](CN(Cc1ccccc1)C(=O)O)N(C(=O)O)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.40
CTSS P25774 4/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSK P43235 4/20 0.39
GAA P10253 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CXCR3 P49682 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37

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
SCHEMBL4853174 0.85 SYK (0.56) SYKATMMAPT
SCHEMBL4850221 0.85 SYK (0.49) SYKMMP1MMP3MMP9ATM
SCHEMBL4850228 0.85 SYK (0.49) SYKMMP1MMP3MMP9ATM
SCHEMBL4852088 0.83 SYK (0.48) SYKMMP1MMP3MMP9ATM
SCHEMBL1024156 0.83 SYK (0.48) SYKMMP1MMP3MMP9ATM
SCHEMBL1023983 0.82 SYK (0.42) SYKMMP1MMP3MMP9ATM
SCHEMBL4847719 0.81 SYK (0.47) SYKMMP1MMP3MMP9ATM
SCHEMBL4847703 0.81 SYK (0.47) SYKMMP1MMP3MMP9ATM
SCHEMBL1024124 0.81 CTSS (0.49) SYKMMP1MMP3MMP9ATM
SCHEMBL4848456 0.81 CTSS (0.49) SYKMMP1MMP3MMP9ATM

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-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed