SCHEMBL158951

SCHEMBL158951

Cc1ccc(S(=O)(=O)N[C@@H](CCCN)C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.70
MMP2 P08253 11/20 0.70
TDP1 Q9NUW8 1/20 0.57
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
MMP13 P45452 3/20 0.53
MMP3 P08254 2/20 0.53
MMP8 P22894 2/20 0.52
ADAMTS4 O75173 1/20 0.52
PLAU P00749 1/20 0.51
HPN P05981 1/20 0.51
MMP1 P03956 1/20 0.50
MMP7 P09237 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MMP12 P39900 1/20 0.48
MMP14 P50281 1/20 0.48

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
SCHEMBL158952 1.00 MMP9 (0.70) MMP9MMP2TDP1ITGB3ITGA2B
SCHEMBL10585071 0.96 MMP9 (0.76) MMP9MMP2TDP1ITGB3ITGA2B
SCHEMBL8001084 0.96 MMP9 (0.76) MMP9MMP2TDP1ITGB3ITGA2B
SCHEMBL457772 0.96 MMP9 (0.76) MMP9MMP2TDP1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9087107 0.95 MMP9 (0.74) MMP9MMP2TDP1ITGB3ITGA2B
SCHEMBL8322406 0.92 MMP9 (0.71) MMP9MMP2TDP1ITGB3ITGA2B
SCHEMBL232590 0.91 MMP9 (0.70) MMP9MMP2TDP1ITGB3ITGA2B
SCHEMBL796113 0.91 MMP9 (0.70) MMP9MMP2TDP1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL14059216 0.90 MMP9 (0.68) MMP9MMP2TDP1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL28895937 0.90 MMP9 (0.68) MMP9MMP2TDP1ITGB3ITGA2B

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
WO-2012031118-A2 CELL PERMEABLE INHIBITORS OF ANAPHASE PROMOTING COMPLEX PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 WO disclosed