SCHEMBL7102729

SCHEMBL7102729

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.54
ANPEP P15144 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MMP1 P03956 2/20 0.47
FCER2 P06734 2/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN9A Q15858 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL7102726 1.00 MMP8 (0.54) MMP8ANPEPALDH1A1CYP3A4MMP1
SCHEMBL7101423 0.85 KMT2A (0.51) MMP8KMT2ACA12CA2CA9
SCHEMBL7101421 0.85 KMT2A (0.51) MMP8KMT2ACA12CA2CA9
SCHEMBL7098758 0.83 MMP8 (0.58) MMP8KMT2A
SCHEMBL7098762 0.83 MMP8 (0.58) MMP8KMT2A
SCHEMBL7104108 0.82 CTSK (0.46) MMP8CYP3A4
SCHEMBL7104112 0.82 CTSK (0.46) MMP8CYP3A4
SCHEMBL7099566 0.82 MME (0.61) MMP8ANPEPALDH1A1CYP3A4MMP1
SCHEMBL7099569 0.82 MME (0.61) MMP8ANPEPALDH1A1CYP3A4MMP1
SCHEMBL7104044 0.81 NAAA (0.51) ALDH1A1KMT2A

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 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