SCHEMBL7308706

SCHEMBL7308706

O=C(CC(Cc1ccccc1)[S+]([O-])c1ccc(Oc2ccccc2)cc1)NO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.46
MMP2 P08253 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
MMP3 P08254 1/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
MME P08473 2/20 0.44
ADAMTS4 O75173 2/20 0.44
MMP13 P45452 2/20 0.44
MMP14 P50281 2/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
MEP1B Q16820 1/20 0.44
LTA4H P09960 1/20 0.43
ANPEP P15144 1/20 0.43
ECE1 P42892 1/20 0.43

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
SCHEMBL7303121 0.89 MMP2 (0.60) MMP1MMP2PDE4APDE4BPDE4C
SCHEMBL7303135 0.86 MME (0.47) MMP1MMP2MMEMMP13LTA4H
SCHEMBL7299652 0.83 MME (0.44) MMP1MMELTA4HANPEPECE1
SCHEMBL7308918 0.83 FCER2 (0.48) MMP1MMP2PDE4APDE4BPDE4C
SCHEMBL7303711 0.81 MMP2 (0.51) MMP1MMP2PDE4APDE4BPDE4C
SCHEMBL27477944 0.80 MME (0.42) MMP1MMELTA4HANPEPECE1
SCHEMBL27477945 0.78 PPARG (0.47) MMP2PPARGPPARAMMEMMP13
SCHEMBL7309199 0.77 NFE2L2 (0.44) MMP1MMP2PDE4APDE4BPDE4C
SCHEMBL8203704 0.75 MMP3 (0.63) MMP1MMP2PDE4APDE4BPDE4C
SCHEMBL7308283 0.74 MMP1 (0.80) MMP1MMP2PDE4APDE4BPDE4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
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
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed