SCHEMBL3100596

SCHEMBL3100596

CC(O)C(C(N)=O)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.33
ANPEP P15144 4/20 0.32
LAP3 P28838 3/20 0.32
ERAP1 Q9NZ08 1/20 0.32
PGD P52209 1/20 0.32
GABBR2 O75899 2/20 0.31
GABBR1 Q9UBS5 2/20 0.31
GABRR1 P24046 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3100608 1.00 FDPS (0.33) FDPSANPEPLAP3ERAP1PGD
SCHEMBL3098133 0.88 LAP3 (0.38) FDPSANPEPLAP3ERAP1GABBR2
SCHEMBL3098142 0.88 LAP3 (0.38) FDPSANPEPLAP3ERAP1GABBR2
SCHEMBL2992439 0.82 FDPS (0.34) FDPSLAP3
SCHEMBL2992441 0.82 FDPS (0.34) FDPSLAP3
SCHEMBL3087571 0.81 LAP3 (0.36) FDPSANPEPLAP3ERAP1
SCHEMBL3087573 0.81 LAP3 (0.36) FDPSANPEPLAP3ERAP1
SCHEMBL3109134 0.78 FDPS (0.37) FDPSANPEPLAP3ERAP1ALDH1A1
SCHEMBL3109138 0.78 FDPS (0.37) FDPSANPEPLAP3ERAP1ALDH1A1
SCHEMBL3095789 0.77 LAP3 (0.35) ANPEPLAP3ERAP1GABBR2GABBR1

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