SCHEMBL7378498

SCHEMBL7378498

O=C(O)C(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(SCCOc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.53
MMP2 P08253 10/20 0.53
MMP3 P08254 8/20 0.53
MMP1 P03956 6/20 0.52
MMP7 P09237 6/20 0.52
MMP9 P14780 6/20 0.52
MMP14 P50281 1/20 0.52
ADAMTS4 O75173 8/20 0.49
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46

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
SCHEMBL6732520 1.00 MMP13 (0.53) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6733022 0.89 MMP13 (0.57) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6735606 0.83 ADAMTS4 (0.55) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6732449 0.79 MMP2 (0.56) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6737974 0.78 MMP2 (0.56) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6738332 0.77 MMP13 (0.56) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6737769 0.76 MMP2 (0.57) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6738197 0.76 MMP13 (0.63) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6732456 0.76 MMP13 (0.63) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6738690 0.75 MMP13 (0.56) MMP13MMP2MMP3MMP1MMP7

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