SCHEMBL7299665

SCHEMBL7299665

O=C(CC(Cc1ccccc1)[S+]([O-])c1cc(-c2ccccc2)cs1)NO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.42
MMP1 P03956 2/20 0.41
FCER2 P06734 2/20 0.41
LTA4H P09960 1/20 0.40
ANPEP P15144 1/20 0.40
ECE1 P42892 1/20 0.40
MMP9 P14780 3/20 0.40
MMP2 P08253 2/20 0.40
MMP7 P09237 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP8 P22894 2/20 0.39

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
SCHEMBL7303135 0.81 MME (0.47) MMEMMP1FCER2LTA4HANPEP
SCHEMBL27477945 0.73 PPARG (0.47) MMELTA4HANPEPECE1MMP9
SCHEMBL7299652 0.73 MME (0.44) MMEMMP1FCER2LTA4HANPEP
SCHEMBL7308918 0.73 FCER2 (0.48) MMEMMP1FCER2LTA4HANPEP
SCHEMBL7301211 0.72 MME (0.41) MMEMMP1FCER2LTA4HANPEP
SCHEMBL7306329 0.71 MMP1 (0.53) MMEMMP1FCER2MMP9MMP2
SCHEMBL7308706 0.71 MMP1 (0.46) MMEMMP1LTA4HANPEPECE1
SCHEMBL7303121 0.70 MMP2 (0.60) MMEMMP1LTA4HANPEPECE1
SCHEMBL7303711 0.70 MMP2 (0.51) MMP1MMP9MMP2MMP13MMP8
SCHEMBL27477944 0.68 MME (0.42) MMEMMP1FCER2LTA4HANPEP

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed