SCHEMBL7449727

SCHEMBL7449727

COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1)C1CCS(=O)(=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 20/20 0.64
MMP13 P45452 20/20 0.64
MMP2 P08253 18/20 0.64
MMP1 P03956 17/20 0.64
MMP7 P09237 15/20 0.64
MMP9 P14780 10/20 0.62
MMP8 P22894 10/20 0.62

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
SCHEMBL7456237 0.91 MMP13 (0.78) MMP3MMP13MMP2MMP1MMP7
SCHEMBL7250801 0.85 MMP13 (0.67) MMP3MMP13MMP2MMP1MMP7
SCHEMBL6290454 0.85 MMP3 (0.83) MMP3MMP13MMP2MMP1MMP7
SCHEMBL6291093 0.85 MMP13 (0.66) MMP3MMP13MMP2MMP1MMP7
SCHEMBL7452602 0.83 MMP13 (0.74) MMP3MMP13MMP2MMP1MMP7
SCHEMBL12861420 0.82 PDE4A (0.47) MMP3MMP13MMP2MMP1MMP7
SCHEMBL7082867 0.81 MMP13 (0.84) MMP3MMP13MMP2MMP1MMP7
SCHEMBL7238128 0.80 MMP13 (0.67) MMP3MMP13MMP2MMP1MMP7
SCHEMBL7081118 0.80 MMP13 (0.64) MMP3MMP13MMP2MMP1MMP7
SCHEMBL6289713 0.79 MMP13 (0.86) MMP3MMP13MMP2MMP1MMP7

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-1265863-A1 HETEROCYCLIC SIDE CHAIN CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-12-18 EP disclosed
WO-2001070690-A1 HETEROCYCLIC SIDE CHAIN CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-09-27 WO disclosed