SCHEMBL5886609

SCHEMBL5886609

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.48
MMP9 P14780 4/20 0.47
MMP14 P50281 1/20 0.47
MMP2 P08253 4/20 0.47
MMP3 P08254 3/20 0.47
FCER2 P06734 2/20 0.47
MMP8 P22894 3/20 0.46
MMP7 P09237 2/20 0.46
CTSD P07339 1/20 0.46

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
SCHEMBL13986869 1.00 MMP1 (0.48) MMP1MMP9MMP14MMP2MMP3
SCHEMBL5886614 0.90 MMP1 (0.56) MMP1MMP9MMP2MMP3FCER2
SCHEMBL5886611 0.90 MMP1 (0.56) MMP1MMP9MMP2MMP3FCER2
SCHEMBL5886644 0.85 MMP1 (0.63) MMP1MMP9MMP14MMP2MMP3
SCHEMBL13986872 0.85 MMP1 (0.63) MMP1MMP9MMP14MMP2MMP3
SCHEMBL5886593 0.77 MMP1 (0.44) MMP1MMP9MMP2MMP3MMP8
SCHEMBL13986864 0.77 MMP1 (0.44) MMP1MMP9MMP2MMP3MMP8
SCHEMBL24915422 0.75 MME (0.52) MMP1MMP9MMP14MMP2MMP3
SCHEMBL16571327 0.75 KMT2A (0.52) MMP9MMP14MMP8CTSD
SCHEMBL18064459 0.75 KMT2A (0.52) MMP9MMP14MMP8CTSD

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