SCHEMBL3099197

SCHEMBL3099197

CC(NCP(=O)(O)O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.35
LAP3 P28838 4/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MMP1 P03956 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MMP8 P22894 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP2 P08253 2/20 0.32
METAP1 P53582 1/20 0.32
MMP3 P08254 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP9 P14780 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3099206 1.00 ANPEP (0.35) ANPEPLAP3ERAP1MMP1ALDH1A1
SCHEMBL523330 0.80 LTA4H (0.35) MMP1MMP8TDP1
SCHEMBL523329 0.80 LTA4H (0.35) MMP1MMP8TDP1
SCHEMBL3100524 0.79 LAP3 (0.37) ANPEPLAP3ERAP1MMP1ALDH1A1
SCHEMBL3100531 0.79 LAP3 (0.37) ANPEPLAP3ERAP1MMP1ALDH1A1
SCHEMBL3102891 0.78 ANPEP (0.32) ANPEPLAP3ERAP1MMP1ALDH1A1
SCHEMBL3102882 0.78 ANPEP (0.32) ANPEPLAP3ERAP1MMP1ALDH1A1
SCHEMBL14502966 0.77 MEP1B (0.37) MMP1MMP8MMP2MMP3CA1
SCHEMBL7763537 0.77 MEP1B (0.37) MMP1MMP8MMP2MMP3CA1
SCHEMBL3097218 0.76 LAP3 (0.44) ANPEPLAP3ERAP1MMP1ALDH1A1

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-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed