SCHEMBL7495698

SCHEMBL7495698

COc1ccc(-c2ccc(S(=O)(=O)NC(C[C@@H](O)CSc3nccs3)C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.49
MMP13 P45452 12/20 0.49
MMP3 P08254 8/20 0.49
MMP1 P03956 7/20 0.49
MMP9 P14780 9/20 0.48
MMP8 P22894 2/20 0.48
MMP7 P09237 2/20 0.46
ADAMTS4 O75173 1/20 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
SCHEMBL6773372 1.00 MMP2 (0.49) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6779301 0.92 MMP2 (0.54) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7489400 0.91 MMP13 (0.53) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6768834 0.91 MMP13 (0.53) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6774034 0.90 MMP2 (0.50) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6775359 0.89 MMP2 (0.48) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6772977 0.88 MMP2 (0.55) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6768238 0.88 MMP2 (0.49) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6773839 0.87 MMP2 (0.54) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7246126 0.86 MMP2 (0.52) MMP2MMP13MMP3MMP1MMP9

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-1165530-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
WO-2000051993-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed