SCHEMBL7104059

SCHEMBL7104059

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.56
ALDH1A1 P00352 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
CYP3A4 P08684 1/20 0.48
ANPEP P15144 1/20 0.46
MME P08473 1/20 0.46
POLB P06746 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
SCHEMBL7104054 1.00 MMP8 (0.56) MMP8ALDH1A1CA12CA1CA2
SCHEMBL7104285 0.87 MMP8 (0.52) MMP8CA12CA1CA2POLB
SCHEMBL7104280 0.87 MMP8 (0.52) MMP8CA12CA1CA2POLB
SCHEMBL7104100 0.85 MMP8 (0.60) MMP8
SCHEMBL7104095 0.85 MMP8 (0.60) MMP8
SCHEMBL7104103 0.84 NAAA (0.48) MMP8ALDH1A1
SCHEMBL7104110 0.84 NAAA (0.48) MMP8ALDH1A1
SCHEMBL7098101 0.84 CTSK (0.46) MMP8ALDH1A1CYP3A4
SCHEMBL7102726 0.80 MMP8 (0.54) MMP8ALDH1A1CA12CA1CA2
SCHEMBL7102729 0.80 MMP8 (0.54) MMP8ALDH1A1CA12CA1CA2

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 2 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