SCHEMBL8764285

SCHEMBL8764285

COC(=O)CC(S)C(=O)N(C(=O)OCc1ccccc1)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.53
ACE P12821 3/20 0.50
MME P08473 3/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
REN P00797 1/20 0.47
CAPN1 P07384 2/20 0.47
MMP2 P08253 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL7427886 0.91 MMP1 (0.47) MMP1ACEMMECPA1ACE2
SCHEMBL7426256 0.84 MMP1 (0.54) MMP1RENMMP2MMP7MMP9
SCHEMBL7480288 0.82 MMP1 (0.53) MMP1MMERENCAPN1
SCHEMBL998948 0.80 MME (0.54) MMECAPN1
SCHEMBL31512922 0.80 CTSK (0.56) ACEMMECPA1ACE2CAPN1
SCHEMBL8390276 0.79 MME (0.68) MMP1ACEMMECPA1ACE2
SCHEMBL8764718 0.77 MMP1 (0.50) MMP1MMP2MMP7MMP9
SCHEMBL7488102 0.75 MMP1 (0.47) MMP1RENCAPN1MMP2MMP7
SCHEMBL7424750 0.73 MMP1 (0.46) MMP1RENCAPN1MMP2
SCHEMBL5934705 0.72 CTSK (0.58) CAPN1

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-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 EP claimed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO claimed