SCHEMBL7308918

SCHEMBL7308918

O=C(CC(Cc1ccccc1)[S+]([O-])c1ccc2ccccc2c1)NO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 1/20 0.48
MME P08473 2/20 0.44
MMP2 P08253 3/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
LTA4H P09960 1/20 0.43
ANPEP P15144 1/20 0.43
ECE1 P42892 1/20 0.43
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 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 0.84 MME (0.47) FCER2MMEMMP2MMP9MMP8
SCHEMBL7308706 0.83 MMP1 (0.46) MMEMMP2LTA4HANPEPECE1
SCHEMBL7303121 0.82 MMP2 (0.60) MMEMMP2MMP9MMP8LTA4H
SCHEMBL7303711 0.81 MMP2 (0.51) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7299652 0.81 MME (0.44) FCER2MMELTA4HANPEPECE1
SCHEMBL27477944 0.78 MME (0.42) FCER2MMELTA4HANPEPECE1
SCHEMBL27477945 0.76 PPARG (0.47) MMEMMP2MMP9MMP8LTA4H
SCHEMBL7299665 0.73 MME (0.42) FCER2MMEMMP2MMP9MMP8
SCHEMBL7309199 0.72 NFE2L2 (0.44) MMEMMP2LTA4HANPEPECE1
SCHEMBL7302160 0.72 PDE4A (0.69) FCER2MMP2MMP9MMP1MMP3

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 3 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
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed