SCHEMBL8019394

SCHEMBL8019394

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.59
MMP2 P08253 10/20 0.59
MMP3 P08254 8/20 0.59
MMP8 P22894 6/20 0.58
FCER2 P06734 6/20 0.58
MMP9 P14780 5/20 0.58
MMP7 P09237 4/20 0.58
ADAM17 P78536 2/20 0.53
PSMB5 P28074 2/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51

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
SCHEMBL7400674 0.85 PSMB5 (0.69) MMP1MMP2MMP3MMP8FCER2
SCHEMBL9068710 0.85 MME (0.55) MMP2MMP9MMP7MMP12MMP13
SCHEMBL8006105 0.84 MMP1 (0.51) MMP1MMP2MMP3MMP8FCER2
SCHEMBL6413659 0.84 MMP1 (0.61) MMP1MMP2MMP3MMP8FCER2
SCHEMBL7403731 0.84 MMP1 (0.61) MMP1MMP2MMP3MMP8FCER2
SCHEMBL6421408 0.84 MMP1 (0.56) MMP1MMP2MMP3MMP8FCER2
SCHEMBL6416478 0.84 MMP1 (0.64) MMP1MMP2MMP3MMP8FCER2
SCHEMBL6415232 0.83 MMP1 (0.60) MMP1MMP2MMP3MMP8FCER2
SCHEMBL8510052 0.83 PSMB5 (0.70) MMP1MMP2MMP3MMP8FCER2
SCHEMBL9068920 0.82 LTA4H (0.52)

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
EP-0728144-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES DARWIN DISCOVERY LTD (GB) 2000-01-19 EP disclosed
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