SCHEMBL7945709

SCHEMBL7945709

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.54
MMP13 P45452 10/20 0.54
MMP1 P03956 9/20 0.54
MMP3 P08254 9/20 0.54
MMP9 P14780 9/20 0.54
MMP7 P09237 7/20 0.54
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP8 P22894 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NHERF1 O14745 1/20 0.48
MMP14 P50281 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SLC1A3 P43003 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
SCHEMBL28768450 0.87 CA2 (0.51) MMP2MMP13MMP1MMP3MMP9
SCHEMBL3065763 0.85 MMP2 (0.50) MMP2MMP13MMP1MMP3MMP9
SCHEMBL13643222 0.85 MMP2 (0.57) MMP2MMP13MMP1MMP3MMP9
SCHEMBL13639185 0.85 MMP2 (0.57) MMP2MMP13MMP1MMP3MMP9
SCHEMBL10076123 0.85 MMP2 (0.50) MMP2MMP13MMP1MMP3MMP9
SCHEMBL10076124 0.85 POLB (0.51) MMP2MMP13MMP9CTSLCTSS
SCHEMBL5635765 0.85 MMP2 (0.62) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7418098 0.84 MMP2 (0.59) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6768748 0.81 MMP2 (0.57) MMP2MMP13MMP1MMP3MMP9
SCHEMBL14191410 0.79 RECQL (0.63) MMP2MMP13MMP1MMP3MMP9

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
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed