SCHEMBL8005357

SCHEMBL8005357

CC(C)C[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.65
ACE P12821 5/20 0.65
MMP2 P08253 1/20 0.61
MMP7 P09237 1/20 0.61
MMP9 P14780 1/20 0.61
MMP12 P39900 1/20 0.61
MMP13 P45452 1/20 0.61
CPA1 P15085 3/20 0.60
ACE2 Q9BYF1 3/20 0.60

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
SCHEMBL10829671 0.95 MME (0.69) MMEACEMMP2MMP7MMP9
SCHEMBL6416478 0.90 MMP1 (0.64) MMEMMP2MMP7MMP9MMP12
SCHEMBL9069169 0.89 MME (0.66) MMEACECPA1ACE2
SCHEMBL19292528 0.88 ACE (0.70) MMEACEMMP2MMP7MMP9
SCHEMBL15692369 0.88 PSMB5 (0.68) MMEACEMMP2MMP7MMP9
SCHEMBL17996007 0.88 ACE (0.70) MMEACEMMP2MMP7MMP9
Glycylleucylphenylalanine SCHEMBL4281374 0.87 ACE (0.62) MMEACEMMP2MMP7MMP9
Glycylleucylphenylalanine SCHEMBL4281369 0.87 ACE (0.62) MMEACEMMP2MMP7MMP9
SCHEMBL7365144 0.87 ACE (0.73) MMEACEMMP2MMP7MMP9
SCHEMBL15649671 0.87 MME (0.67) MMEACEMMP2MMP7MMP9

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-0728144-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES DARWIN DISCOVERY LTD (GB) 2000-01-19 EP claimed
US-4613587-A 2-MERCAPTOACETYL-PHENYLALANINE-LEUCINE AS ENZYME INHIBITOR, GENTAMICIN ANTIBIOTIC YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1986-09-23 US disclosed