SCHEMBL7380295

SCHEMBL7380295

COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(O)COCc3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 10/20 0.63
MMP13 P45452 9/20 0.63
MMP2 P08253 8/20 0.63
MMP3 P08254 7/20 0.63
MMP1 P03956 5/20 0.61
MMP9 P14780 4/20 0.61
MMP8 P22894 2/20 0.61
MMP7 P09237 1/20 0.61
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54

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
SCHEMBL6732397 1.00 ADAMTS4 (0.63) ADAMTS4MMP13MMP2MMP3MMP1
SCHEMBL6739724 1.00 ADAMTS4 (0.63) ADAMTS4MMP13MMP2MMP3MMP1
SCHEMBL6742817 0.91 ADAMTS4 (0.60) ADAMTS4MMP13MMP2MMP3MMP1
SCHEMBL7509896 0.86 MMP13 (0.61) ADAMTS4MMP13MMP2MMP3MMP1
SCHEMBL6741544 0.86 MMP13 (0.65) ADAMTS4MMP13MMP2MMP3MMP1
SCHEMBL6738682 0.83 MMP2 (0.65) ADAMTS4MMP13MMP2MMP3MMP1
SCHEMBL6732829 0.82 MMP2 (0.64) ADAMTS4MMP13MMP2MMP3MMP1
SCHEMBL6732429 0.82 MMP2 (0.60) ADAMTS4MMP13MMP2MMP3MMP1
SCHEMBL6742791 0.80 MMP13 (0.63) ADAMTS4MMP13MMP2MMP3MMP1
SCHEMBL6738332 0.80 MMP13 (0.56) ADAMTS4MMP13MMP2MMP3MMP1

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-1224171-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-07-24 EP disclosed
WO-2001027084-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO disclosed