SCHEMBL7099569

SCHEMBL7099569

O=C(NCc1ccccc1)C(NC(=O)C(S)Cc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.61
ACE P12821 2/20 0.56
CPA1 P15085 2/20 0.56
ACE2 Q9BYF1 2/20 0.56
MMP8 P22894 1/20 0.54
ANPEP P15144 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MMP1 P03956 1/20 0.47
FCER2 P06734 1/20 0.47

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
SCHEMBL7099566 1.00 MME (0.61) MMEACECPA1ACE2MMP8
SCHEMBL7102697 0.85 MME (0.58) MMEACECPA1ACE2MMP8
SCHEMBL7102694 0.85 MME (0.58) MMEACECPA1ACE2MMP8
SCHEMBL7102264 0.83 MMP8 (0.58) MMEACECPA1ACE2MMP8
SCHEMBL7102259 0.83 MMP8 (0.58) MMEACECPA1ACE2MMP8
SCHEMBL7098757 0.82 MME (0.55) MMEACECPA1ACE2CYP3A4
SCHEMBL7098121 0.82 MME (0.55) MMEACECPA1ACE2CYP3A4
SCHEMBL7102726 0.82 MMP8 (0.54) MMP8ANPEPALDH1A1CYP3A4MMP1
SCHEMBL7102729 0.82 MMP8 (0.54) MMP8ANPEPALDH1A1CYP3A4MMP1
SCHEMBL7098130 0.81 MME (0.53) MMEACECPA1ACE2ALDH1A1

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-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP claimed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US claimed
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed