SCHEMBL5886644

SCHEMBL5886644

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)P(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 19/20 0.63
MMP2 P08253 9/20 0.63
MMP3 P08254 8/20 0.63
MMP8 P22894 5/20 0.58
MMP9 P14780 4/20 0.58
MMP7 P09237 4/20 0.58
FCER2 P06734 1/20 0.58
ADAM17 P78536 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53

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
SCHEMBL13986872 1.00 MMP1 (0.63) MMP1MMP2MMP3MMP8MMP9
SCHEMBL5886611 0.90 MMP1 (0.56) MMP1MMP2MMP3MMP8MMP9
SCHEMBL5886614 0.90 MMP1 (0.56) MMP1MMP2MMP3MMP8MMP9
SCHEMBL4850890 0.86 REN (0.48) MMP1MMP2MMP3
SCHEMBL13986873 0.86 PSMB1 (0.57) MMP1MMP2MMP3MMP8MMP9
SCHEMBL5888758 0.86 PSMB1 (0.57) MMP1MMP2MMP3MMP8MMP9
SCHEMBL4852169 0.85 MMP1 (0.57) MMP1MMP2MMP3MMP8MMP9
SCHEMBL5886609 0.85 MMP1 (0.48) MMP1MMP2MMP3MMP8MMP9
SCHEMBL13986869 0.85 MMP1 (0.48) MMP1MMP2MMP3MMP8MMP9
SCHEMBL6414154 0.84 MMP1 (0.67) MMP1MMP2MMP3MMP8MMP9

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 3 patents. 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
EP-1223945-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-07-24 EP claimed
WO-2001026661-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-04-19 WO claimed