SCHEMBL8330748

SCHEMBL8330748

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.60
MMP2 P08253 1/20 0.60
MMP7 P09237 1/20 0.60
MMP9 P14780 1/20 0.60
MMP12 P39900 1/20 0.60
MMP13 P45452 1/20 0.60
MME P08473 4/20 0.56
CTSL P07711 2/20 0.54
CPA1 P15085 2/20 0.53
ACE2 Q9BYF1 2/20 0.53
PSMB5 P28074 2/20 0.53
BACE1 P56817 2/20 0.52
BACE2 Q9Y5Z0 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52

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
SCHEMBL7410124 0.93 CTSL (0.58) ACEMMP2MMP7MMP9MMP12
SCHEMBL9830825 0.89 MME (0.66) ACEMMP2MMP7MMP9MMP12
SCHEMBL9830820 0.89 MME (0.66) ACEMMP2MMP7MMP9MMP12
SCHEMBL2372439 0.87 CTSL (0.53) MMP2MMP7MMP9MMECTSL
SCHEMBL19292528 0.87 ACE (0.70) ACEMMP2MMP7MMP9MMP12
SCHEMBL17996007 0.87 ACE (0.70) ACEMMP2MMP7MMP9MMP12
SCHEMBL15692369 0.87 PSMB5 (0.68) ACEMMP2MMP7MMP9MMP12
SCHEMBL2519489 0.85 ACE (0.56) ACEMMP2MMP7MMP9MMP12
SCHEMBL2519495 0.85 ACE (0.56) ACEMMP2MMP7MMP9MMP12
SCHEMBL25769240 0.84 CTSL (0.66) ACEMMECTSLCPA1ACE2

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-0737204-A4 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORP (US) 1999-06-23 EP disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 EP disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 WO disclosed