SCHEMBL7763645

SCHEMBL7763645

CC(C)(C)C(NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.55
MMP2 P08253 6/20 0.53
MMP1 P03956 5/20 0.53
MMP13 P45452 4/20 0.53
MMP3 P08254 3/20 0.53
MMP7 P09237 3/20 0.53
ADAMTS4 O75173 2/20 0.52
PGR P06401 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
PPARA Q07869 1/20 0.47
PLAU P00749 1/20 0.47
ADAM17 P78536 1/20 0.46
MMP8 P22894 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 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
SCHEMBL7348920 1.00 MMP9 (0.55) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7378977 0.91 PGR (0.51) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7354064 0.89 MMP9 (0.69) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7355956 0.88 MMP9 (0.48) MMP9MMP2MMP1MMP13MMP3
SCHEMBL6264449 0.87 MMP1 (0.61) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7347207 0.87 MMP9 (0.55) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7354161 0.87 MMP13 (0.56) MMP9MMP2MMP1MMP13MMP3
SCHEMBL6270601 0.86 MMP9 (0.46) MMP9MMP2MMP1MMP13MMP3
SCHEMBL6270025 0.84 MMP9 (0.45) MMP9MMP2MMP1MMP13MMP3
SCHEMBL7351765 0.83 MMP9 (0.80) MMP9MMP2MMP1MMP13MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed