SCHEMBL3109134

SCHEMBL3109134

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.37
LAP3 P28838 4/20 0.35
ANPEP P15144 4/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
METAP1 P53582 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 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
SCHEMBL3109138 1.00 FDPS (0.37) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL3098133 0.81 LAP3 (0.38) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL3098142 0.81 LAP3 (0.38) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL2988912 0.80 FDPS (0.38) FDPSLAP3TDP1
SCHEMBL2988911 0.80 FDPS (0.38) FDPSLAP3TDP1
SCHEMBL3100608 0.78 FDPS (0.33) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL3100596 0.78 FDPS (0.33) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL3095888 0.76 LAP3 (0.44) FDPSLAP3ANPEPERAP1MMP1
SCHEMBL3095884 0.76 LAP3 (0.44) FDPSLAP3ANPEPERAP1MMP1
SCHEMBL3087573 0.75 LAP3 (0.36) FDPSLAP3ANPEPERAP1METAP1

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