SCHEMBL8697185

SCHEMBL8697185

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.64
MMP1 P03956 12/20 0.64
MMP9 P14780 11/20 0.64
MMP8 P22894 8/20 0.64
MMP3 P08254 3/20 0.64
MMP14 P50281 2/20 0.64
ADAM10 O14672 1/20 0.64
ADAM12 O43184 1/20 0.64
ADAMTS4 O75173 1/20 0.64
MMP7 P09237 1/20 0.64
MMP12 P39900 1/20 0.64
MMP13 P45452 1/20 0.64
MMP15 P51511 1/20 0.64
MMP16 P51512 1/20 0.64
ADAM17 P78536 1/20 0.64
ADAM9 Q13443 1/20 0.64
MMP26 Q9NRE1 1/20 0.64
MMP17 Q9ULZ9 1/20 0.64
ADAMTS5 Q9UNA0 1/20 0.64

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
SCHEMBL6413828 0.87 MMP2 (0.68) MMP2MMP1MMP9MMP8MMP3
SCHEMBL24171263 0.85 MMP1 (0.61) MMP2MMP1MMP9MMP8MMP3
SCHEMBL8014479 0.84 MMP1 (0.67) MMP2MMP1MMP9MMP8MMP3
SCHEMBL16298104 0.84 MMP2 (0.64) MMP2MMP1MMP9MMP8MMP3
SCHEMBL8019394 0.81 MMP1 (0.59) MMP2MMP1MMP9MMP8MMP3
SCHEMBL24170939 0.81 MMP2 (0.68) MMP2MMP1MMP9MMP8MMP3
SCHEMBL24171253 0.81 MMP2 (0.68) MMP2MMP1MMP9MMP8MMP3
SCHEMBL25139559 0.81 MMP9 (0.76) MMP2MMP1MMP9MMP8MMP3
SCHEMBL24171242 0.80 MMP2 (0.65) MMP2MMP1MMP9MMP8MMP3
SCHEMBL641549 0.80 CCKBR (0.70) MMP2MMP1MMP9MMP8MMP3

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-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