SCHEMBL7299652

SCHEMBL7299652

O=C(CC(Cc1ccccc1)[S+]([O-])c1ccc(Sc2ccccc2)cc1)NO

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.44
LTA4H P09960 2/20 0.43
ANPEP P15144 1/20 0.43
ECE1 P42892 1/20 0.43
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41

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 0.86 MME (0.47) MMELTA4HANPEPECE1MMP1
SCHEMBL7308706 0.83 MMP1 (0.46) MMELTA4HANPEPECE1MMP1
SCHEMBL7303121 0.82 MMP2 (0.60) MMELTA4HANPEPECE1MMP1
SCHEMBL7308918 0.81 FCER2 (0.48) MMELTA4HANPEPECE1MMP1
SCHEMBL27477944 0.80 MME (0.42) MMELTA4HANPEPECE1MMP1
SCHEMBL27477945 0.78 PPARG (0.47) MMELTA4HANPEPECE1
SCHEMBL7301205 0.76 MME (0.46) MMELTA4HANPEPECE1MMP1
SCHEMBL7303711 0.74 MMP2 (0.51) MMP1
SCHEMBL7309199 0.74 NFE2L2 (0.44) MMELTA4HANPEPECE1MMP1
SCHEMBL7306315 0.74 MMP1 (0.69) MMP1

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