SCHEMBL3095884

SCHEMBL3095884

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 9/20 0.44
ANPEP P15144 5/20 0.44
ERAP1 Q9NZ08 3/20 0.44
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
SLC7A5 Q01650 1/20 0.32
FDPS P14324 1/20 0.32
IL1RN P18510 2/20 0.31
ERAP2 Q6P179 2/20 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
SCHEMBL3095888 1.00 LAP3 (0.44) LAP3ANPEPERAP1MMP1MMP8
SCHEMBL2985775 0.83 LAP3 (0.41) LAP3ANPEPERAP1SLC7A5
SCHEMBL2985773 0.83 LAP3 (0.41) LAP3ANPEPERAP1SLC7A5
SCHEMBL3103343 0.79 FDPS (0.31) FDPS
SCHEMBL3103350 0.79 FDPS (0.31) FDPS
SCHEMBL3108107 0.78 FDPS (0.42) LAP3FDPS
SCHEMBL3108119 0.78 FDPS (0.42) LAP3FDPS
SCHEMBL3109099 0.77 ENPEP (0.35) FDPS
SCHEMBL3100554 0.77 CA2 (0.31) FDPS
SCHEMBL3091959 0.77 CA2 (0.31) FDPS

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