SCHEMBL14217417

SCHEMBL14217417

C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.74
ADAMTS4 O75173 6/20 0.70
MMP13 P45452 8/20 0.65
MMP2 P08253 7/20 0.65
MMP3 P08254 6/20 0.65
MMP1 P03956 4/20 0.65
MMP7 P09237 3/20 0.65
TARS1 P26639 1/20 0.58
MMP14 P50281 1/20 0.52
MEP1B Q16820 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
FFAR1 O14842 1/20 0.51
PGR P06401 1/20 0.51
BCL2L1 Q07817 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL1798546 0.88 MMP9 (0.67) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL1798547 0.88 MMP9 (0.67) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL1800247 0.87 MMP13 (0.76) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL1800250 0.87 MMP13 (0.76) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL702793 0.85 ADAMTS4 (0.81) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL790069 0.85 ADAMTS4 (0.81) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL702794 0.85 ADAMTS4 (0.81) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL4621342 0.84 MMP2 (0.68) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL4618694 0.84 MMP2 (0.68) MMP9ADAMTS4MMP13MMP2MMP3
SCHEMBL4619973 0.84 MMP2 (0.68) MMP9ADAMTS4MMP13MMP2MMP3

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
EP-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP disclosed