SCHEMBL7102259

SCHEMBL7102259

O=C(NCCCc1ccccc1)C(NC(=O)[C@@H](S)Cc1ccccc1)C(=O)NCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.58
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
MME P08473 3/20 0.56
CNR1 P21554 1/20 0.56
ACE P12821 2/20 0.51
CPA1 P15085 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
KDM4A O75164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL7102264 1.00 MMP8 (0.58) MMP8CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7102697 0.92 MME (0.58) MMP8KMT2AMMEACECPA1
SCHEMBL7102694 0.92 MME (0.58) MMP8KMT2AMMEACECPA1
SCHEMBL7098126 0.87 MME (0.53) KMT2AMMEACECPA1ACE2
SCHEMBL7098130 0.87 MME (0.53) KMT2AMMEACECPA1ACE2
SCHEMBL7104216 0.85 SMN1; SMN2 (0.52) KMT2AMMEACECPA1ACE2
SCHEMBL7099381 0.85 MMP8 (0.55) MMP8MMEACECPA1ACE2
SCHEMBL7104122 0.85 MMP8 (0.55) MMP8MMEACECPA1ACE2
SCHEMBL7098301 0.85 ADAMTS5 (0.54) KMT2AMMECNR1ACECPA1
SCHEMBL7098762 0.84 MMP8 (0.58) MMP8CYP2D6CYP2C9CYP2C19KMT2A

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 8 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-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP claimed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO 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
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed