SCHEMBL7374244

SCHEMBL7374244

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.57
MMP2 P08253 1/20 0.55
MMP7 P09237 1/20 0.55
MMP9 P14780 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55
ACE P12821 3/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
MMP1 P03956 2/20 0.53
REN P00797 2/20 0.52

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
SCHEMBL7344017 0.93 MME (0.55) MMEMMP2MMP7MMP9MMP12
SCHEMBL7589289 0.91 MMP1 (0.64) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7337403 0.88 MME (0.60) MMEMMP2MMP7MMP9MMP12
SCHEMBL20813981 0.86 CA12 (0.50) MMEACE
SCHEMBL10950123 0.85 MME (0.63) MMEMMP2MMP7MMP9MMP12
SCHEMBL7477973 0.85 MME (0.57) MMEMMP2MMP7MMP9MMP12
SCHEMBL8387195 0.84 MME (0.65) MMEACECPA1ACE2MMP1
SCHEMBL7594281 0.84 MMP1 (0.61) MMP2MMP7MMP9MMP12MMP13
SCHEMBL10948445 0.83 BIRC2 (0.55)
SCHEMBL8764113 0.82 MME (0.63) MMEACECPA1ACE2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826000-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES Chiroscience Limited (GB) 1998-03-04 EP disclosed
WO-1996035714-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed