SCHEMBL5886593

SCHEMBL5886593

CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)P(=O)(O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.44
LAP3 P28838 3/20 0.43
MMP2 P08253 9/20 0.42
MMP8 P22894 7/20 0.42
MMP9 P14780 4/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
MMP3 P08254 3/20 0.41
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
CNR2 P34972 1/20 0.37
MMP13 P45452 1/20 0.37
FPR2 P25090 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
SCHEMBL13986864 1.00 MMP1 (0.44) MMP1LAP3MMP2MMP8MMP9
SCHEMBL5886634 0.84 FPR2 (0.39) MMP1LAP3MMP2MMP8MMP9
SCHEMBL17920203 0.82 MMP9 (0.43) MMP1MMP2MMP8MMP9MMP3
SCHEMBL13521930 0.82 MMP9 (0.43) MMP1MMP2MMP8MMP9MMP3
SCHEMBL12628471 0.82 MMP9 (0.43) MMP1MMP2MMP8MMP9MMP3
SCHEMBL5886609 0.77 MMP1 (0.48) MMP1MMP2MMP8MMP9MMP3
SCHEMBL13986869 0.77 MMP1 (0.48) MMP1MMP2MMP8MMP9MMP3
SCHEMBL13986872 0.75 MMP1 (0.63) MMP1MMP2MMP8MMP9MMP3
SCHEMBL5886644 0.75 MMP1 (0.63) MMP1MMP2MMP8MMP9MMP3
SCHEMBL7364063 0.75 LAP3 (0.70) MMP1LAP3MMP2MMP8MMP9

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
US-7101864-B1 Compositions comprising oxophosphonate-based metalloproteinase inhibitors YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-09-05 US claimed