SCHEMBL13639249

SCHEMBL13639249

CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.50
MMP13 P45452 10/20 0.50
MMP9 P14780 8/20 0.50
MMP1 P03956 8/20 0.50
MMP8 P22894 6/20 0.50
ALDH1A1 P00352 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MMP3 P08254 8/20 0.49
MMP7 P09237 4/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 2/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
HPGD P15428 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
SCHEMBL13639192 1.00 MMP2 (0.50) MMP2MMP13MMP9MMP1MMP8
SCHEMBL7357601 0.90 MMP2 (0.52) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13639185 0.88 MMP2 (0.57) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13643222 0.88 MMP2 (0.57) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13639186 0.88 MMP2 (0.48) MMP2MMP13MMP9MMP1MMP8
SCHEMBL7347534 0.88 L3MBTL1 (0.55) MMP2MMP13MMP9MMP1MMP8
SCHEMBL13639190 0.88 MMP2 (0.48) MMP2MMP13MMP9MMP1MMP8
SCHEMBL7347538 0.88 L3MBTL1 (0.55) MMP2MMP13MMP9MMP1MMP8
SCHEMBL1499947 0.88 MMP2 (0.50) MMP2MMP13MMP9MMP1MMP8
SCHEMBL7348211 0.88 L3MBTL1 (0.55) MMP2MMP13MMP9MMP1MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520573-A1 Compounds with matrix-metalloproteinase inhibitory activity Westfälische Wilhelms-Universität Münster (DE) 2012-11-07 EP disclosed