SCHEMBL7477973

SCHEMBL7477973

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.57
ACE P12821 7/20 0.55
CPA1 P15085 3/20 0.54
ACE2 Q9BYF1 3/20 0.54
MMP1 P03956 2/20 0.53
MMP2 P08253 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49

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
SCHEMBL7418789 0.93 MME (0.54) MMEACECPA1ACE2MMP1
SCHEMBL8387195 0.87 MME (0.65) MMEACECPA1ACE2MMP1
SCHEMBL7374244 0.85 MME (0.57) MMEACECPA1ACE2MMP1
SCHEMBL8390537 0.83 MME (0.63) MMEACECPA1ACE2MMP1
SCHEMBL7384919 0.83 MME (0.63) MMEACECPA1ACE2MMP1
SCHEMBL8764113 0.83 MME (0.63) MMEACECPA1ACE2MMP1
SCHEMBL7344017 0.83 MME (0.55) MMEACECPA1ACE2MMP1
SCHEMBL7382939 0.82 MME (0.61) MMEACECPA1ACE2MMP1
SCHEMBL8385738 0.82 MME (0.61) MMEACECPA1ACE2MMP1
SCHEMBL7337403 0.82 MME (0.60) MMEACECPA1ACE2MMP1

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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed