SCHEMBL7387102

SCHEMBL7387102

COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(Sc3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.64
MMP13 P45452 9/20 0.64
MMP3 P08254 8/20 0.64
MMP9 P14780 7/20 0.64
MMP1 P03956 6/20 0.64
MMP7 P09237 3/20 0.64
MMP8 P22894 2/20 0.64
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
ADAMTS4 O75173 7/20 0.56

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
SCHEMBL6733789 1.00 MMP2 (0.64) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6768375 1.00 MMP2 (0.64) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6742257 0.93 MMP13 (0.58) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6738347 0.89 MMP2 (0.67) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6736584 0.89 MMP2 (0.67) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6732456 0.86 MMP13 (0.63) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6738197 0.86 MMP13 (0.63) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6741519 0.84 MMP2 (0.60) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6738036 0.84 MMP2 (0.60) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7391332 0.83 MMP13 (0.54) MMP2MMP13MMP3MMP9MMP1

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 claimed
WO-2001027084-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO claimed