SCHEMBL7301211

SCHEMBL7301211

O=C(CC(Cc1ccccc1)Sc1cc(-c2ccccc2)cs1)NO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
MMP1 P03956 2/20 0.40
FCER2 P06734 2/20 0.40
FOLH1 Q04609 1/20 0.40
LTA4H P09960 2/20 0.39
ANPEP P15144 1/20 0.39
ECE1 P42892 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 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
SCHEMBL7302926 0.88 CPA1 (0.44) FOLH1MMP2MMP9
SCHEMBL7309324 0.84 ACE (0.36) MMEMMP2
SCHEMBL7301831 0.80 MMP9 (0.47) MMEMMP1FCER2LTA4HANPEP
SCHEMBL7300405 0.76 MME (0.50) MMEMMP1FCER2LTA4HANPEP
SCHEMBL7301205 0.75 MME (0.46) MMEMMP1FCER2LTA4HANPEP
SCHEMBL7306329 0.73 MMP1 (0.53) MMEMMP1FCER2MMP2MMP9
SCHEMBL7298887 0.73 ANPEP (0.52) MMEFCER2FOLH1LTA4HANPEP
SCHEMBL7299665 0.72 MME (0.42) MMEMMP1FCER2LTA4HANPEP
SCHEMBL27479584 0.72 PPARG (0.49) MMEFOLH1LTA4HANPEPECE1
SCHEMBL6819843 0.70 PDE4A (0.53) MMP1MMP2MMP9

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