SCHEMBL8019332

SCHEMBL8019332

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 3/20 0.71
MMP2 P08253 7/20 0.68
MMP9 P14780 7/20 0.68
MMP8 P22894 7/20 0.68
IL1RN P18510 3/20 0.67
ERAP2 Q6P179 3/20 0.67
ERAP1 Q9NZ08 3/20 0.67
MAPT P10636 2/20 0.66
GAA P10253 1/20 0.66
HTT P42858 1/20 0.66
MMP1 P03956 2/20 0.65
REN P00797 1/20 0.65
LMNA P02545 1/20 0.64
ADAM10 O14672 1/20 0.61
ADAM12 O43184 1/20 0.61
ADAMTS4 O75173 1/20 0.61
MMP3 P08254 1/20 0.61
MMP7 P09237 1/20 0.61
MMP12 P39900 1/20 0.61
MMP13 P45452 1/20 0.61

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
SCHEMBL7275505 0.93 NMBR (0.74) NMBRMMP2MMP9MMP8IL1RN
SCHEMBL12052806 0.93 NMBR (0.71) NMBRMMP9MMP8IL1RNERAP2
SCHEMBL12052771 0.93 NMBR (0.71) NMBRMMP9MMP8IL1RNERAP2
SCHEMBL3081089 0.92 NMBR (0.76) NMBRMMP2MMP9MMP8MAPT
SCHEMBL8100241 0.92 IL1RN (0.70) NMBRIL1RNERAP2ERAP1MAPT
SCHEMBL11981434 0.91 NMBR (0.69) NMBRMMP2MMP9MMP8IL1RN
SCHEMBL6575453 0.90 MMP2 (0.72) NMBRMMP2MMP9MMP8MAPT
SCHEMBL8742461 0.87 IL1RN (0.67) NMBRMMP2MMP9MMP8IL1RN
SCHEMBL4644667 0.87 MMP2 (0.62) NMBRMMP2MMP9MMP8MMP1
SCHEMBL14595064 0.87 NMBR (0.74) NMBRMMP2MMP9MMP8IL1RN

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-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES DARWIN DISCOVERY LTD (GB) 2000-01-19 EP disclosed
US-5853623-A Peptidyl compounds and their therapeutic use as inhibitors of metalloproteinases CHIROSCIENCE LIMITED (GB) 1998-12-29 US 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