SCHEMBL8685172

SCHEMBL8685172

NC(=O)CC(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.63
MMP9 P14780 9/20 0.63
ADAMTS4 O75173 2/20 0.56
MMP13 P45452 3/20 0.55
MMP8 P22894 1/20 0.55
SLC1A3 P43003 2/20 0.54
SLC1A2 P43004 2/20 0.54
SLC1A1 P43005 2/20 0.54
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL5191062 1.00 MMP2 (0.63) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL7358058 0.90 MMP2 (0.56) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL6268763 0.90 MMP2 (0.56) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL713304 0.87 MMP9 (0.61) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL698079 0.87 MMP9 (0.61) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL698080 0.87 MMP9 (0.61) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL5189409 0.86 TDP1 (0.60) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL11946620 0.86 MMP2 (0.56) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL10967894 0.86 TDP1 (0.60) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL4041026 0.86 TDP1 (0.60) MMP2MMP9ADAMTS4MMP13MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741796-A Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1998-04-21 US disclosed