SCHEMBL8997590

SCHEMBL8997590

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CS)C(C)O.CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.50
MMP2 P08253 8/20 0.49
MMP3 P08254 7/20 0.49
MME P08473 3/20 0.49
ACE P12821 2/20 0.49
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
MMP9 P14780 5/20 0.48
MMP8 P22894 4/20 0.48
MMP7 P09237 3/20 0.48
FCER2 P06734 1/20 0.48
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL6417820 0.89 MME (0.61) MMP1MMP2MMP3MMEACE
SCHEMBL6413821 0.86 MMP1 (0.55) MMP1MMP2MMP3MMEMMP9
SCHEMBL6413824 0.86 MMP1 (0.55) MMP1MMP2MMP3MMEMMP9
SCHEMBL6416478 0.83 MMP1 (0.64) MMP1MMP2MMP3MMEMMP9
SCHEMBL6418586 0.81 MME (0.61) MMP1MMP2MMP3MMEACE
SCHEMBL6413295 0.80 MME (0.64) MMP1MMP2MMP3MMEACE
SCHEMBL7382794 0.80 ACE (0.74) MMEACECPA1ACE2
SCHEMBL6414037 0.80 MME (0.74) MMP1MMP2MMP3MMEACE
SCHEMBL7895293 0.78 MME (0.56) MMP1MMP2MMP3MMEACE
SCHEMBL7385849 0.77 MMP1 (0.65) MMP1MMP2MMP3MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728144-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES Chiroscience Limited (GB) 1996-08-28 EP claimed
WO-1995013289-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES CHIROSCIENCE LIMITED (GB) 1995-05-18 WO claimed
EP-0728144-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES Chiroscience Limited (GB) 1996-08-28 EP disclosed
WO-1995013289-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES CHIROSCIENCE LIMITED (GB) 1995-05-18 WO disclosed