SCHEMBL7752667

SCHEMBL7752667

N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
MMP2 P08253 8/20 0.51
MMP9 P14780 8/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP13 P45452 1/20 0.48
MMP8 P22894 3/20 0.47
MMP12 P39900 3/20 0.47
MMP14 P50281 3/20 0.47
F2 P00734 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PLG P00747 2/20 0.47
HPN P05981 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
HGFAC Q04756 1/20 0.46

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
SCHEMBL7118903 0.89 ALDH1A1 (0.46) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL3448321 0.87 MMP9 (0.58) MMP2MMP9ITGB3ITGA2BMMP1
SCHEMBL3448325 0.87 MMP9 (0.58) MMP2MMP9ITGB3ITGA2BMMP1
SCHEMBL11668810 0.87 ITGB3 (0.49) MMP2MMP9ITGB3ITGA2B
SCHEMBL11668797 0.87 ITGB3 (0.49) MMP2MMP9ITGB3ITGA2B
SCHEMBL20560096 0.85 PLG (0.57) PLGHPNST14HGFACPLAU
SCHEMBL1328461 0.85 PLG (0.57) PLGHPNST14HGFACPLAU
SCHEMBL2928771 0.85 F2 (0.53) F2PLGHPNST14HGFAC
SCHEMBL8715885 0.83 MMP9 (0.73) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL8715883 0.83 MMP9 (0.73) SLC1A3SLC1A2SLC1A1MMP2MMP9

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-0725797-B1 BIVALENT THROMBIN INHIBITORS CA NAT RESEARCH COUNCIL (CA) 2001-01-10 EP claimed