SCHEMBL8799340

SCHEMBL8799340

N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
TMPRSS11D O60235 10/20 0.48
ITGB3 P05106 4/20 0.48
ITGA2B P08514 3/20 0.48
F2 P00734 5/20 0.46
F10 P00742 5/20 0.46
PLG P00747 5/20 0.46
TMPRSS2 O15393 2/20 0.46
ITGAV P06756 1/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
TGM2 P21980 1/20 0.44

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
SCHEMBL8597124 1.00 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1TMPRSS11DITGB3
Sarcosine SCHEMBL8800822 0.92 TMPRSS11D (0.43) SLC1A3SLC1A2SLC1A1TMPRSS11DITGB3
SCHEMBL18419482 0.88 F10 (0.47) TMPRSS11DITGB3ITGA2BF2F10
Arginine SCHEMBL7359381 0.87 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1TMPRSS11DITGB3
SCHEMBL7125358 0.85 NPY4R (0.51) TMPRSS11DF2F10PLG
SCHEMBL8806578 0.82 F10 (0.43) TMPRSS11DITGB3ITGA2BF2F10
SCHEMBL3448321 0.82 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9MMP1
SCHEMBL3448325 0.82 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9MMP1
SCHEMBL30309011 0.81 ITGB3 (0.65) SLC1A3SLC1A2SLC1A1TMPRSS11DITGB3
SCHEMBL12044849 0.80 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1TMPRSS11DITGB3

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-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 EP disclosed