SCHEMBL7954592

SCHEMBL7954592

CN1C(=O)N(CCCC[C@@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.51
MMP9 P14780 14/20 0.51
ADAMTS5 Q9UNA0 1/20 0.50
MMP8 P22894 3/20 0.46
MMP13 P45452 2/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP12 P39900 2/20 0.44
MMP14 P50281 2/20 0.44

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
SCHEMBL7954589 1.00 MMP2 (0.51) MMP2MMP9ADAMTS5MMP8MMP13
SCHEMBL1379461 0.97 MMP2 (0.52) MMP2MMP9ADAMTS5MMP8MMP13
SCHEMBL1376076 0.93 MMP2 (0.53) MMP2MMP9ADAMTS5MMP8MMP13
SCHEMBL1380534 0.88 MMP2 (0.54) MMP2MMP9ADAMTS5MMP8MMP13
SCHEMBL1380533 0.88 MMP2 (0.54) MMP2MMP9ADAMTS5MMP8MMP13
SCHEMBL1380810 0.88 MMP2 (0.50) MMP2MMP9ADAMTS5MMP8MMP13
SCHEMBL1380809 0.88 MMP2 (0.50) MMP2MMP9ADAMTS5MMP8MMP13
SCHEMBL5034648 0.83 MMP2 (0.52) MMP2MMP9ADAMTS5MMP13MMP1
SCHEMBL1379922 0.80 MMP2 (0.46) MMP2MMP9ADAMTS5MMP13MMP1
SCHEMBL1379920 0.80 MMP2 (0.46) MMP2MMP9ADAMTS5MMP13MMP1

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