SCHEMBL7456237

SCHEMBL7456237

COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C3CCS(=O)(=O)CC3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.78
MMP3 P08254 19/20 0.78
MMP2 P08253 17/20 0.78
MMP1 P03956 17/20 0.78
MMP7 P09237 15/20 0.78
MMP9 P14780 9/20 0.74
MMP8 P22894 9/20 0.74

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
SCHEMBL7449727 0.91 MMP3 (0.64) MMP13MMP3MMP2MMP1MMP7
SCHEMBL7082386 0.86 MMP13 (1.00) MMP13MMP3MMP2MMP1MMP7
SCHEMBL7245718 0.85 MMP13 (1.00) MMP13MMP3MMP2MMP1MMP7
SCHEMBL7256981 0.85 MMP13 (0.79) MMP13MMP3MMP2MMP1MMP7
SCHEMBL7249960 0.85 MMP13 (1.00) MMP13MMP3MMP2MMP1MMP7
SCHEMBL7256578 0.85 MMP13 (0.81) MMP13MMP3MMP2MMP1MMP7
SCHEMBL7591455 0.85 MMP13 (0.60) MMP13MMP3MMP2MMP1MMP7
SCHEMBL7251827 0.83 MMP13 (0.77) MMP13MMP3MMP2MMP1MMP7
SCHEMBL7250944 0.83 MMP13 (1.00) MMP13MMP3MMP2MMP1MMP7
SCHEMBL7252210 0.81 MMP13 (0.81) MMP13MMP3MMP2MMP1MMP7

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