SCHEMBL3095789

SCHEMBL3095789

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.35
ANPEP P15144 4/20 0.32
ERAP1 Q9NZ08 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL3095792 1.00 LAP3 (0.35) LAP3ANPEPERAP1GABBR2GABBR1
SCHEMBL3098142 0.84 LAP3 (0.38) LAP3ANPEPERAP1GABBR2GABBR1
SCHEMBL3098133 0.84 LAP3 (0.38) LAP3ANPEPERAP1GABBR2GABBR1
SCHEMBL2981873 0.82 SLC7A5 (0.33) LAP3
SCHEMBL2981875 0.82 SLC7A5 (0.33) LAP3
SCHEMBL3095497 0.78 TSHR (0.35) TDP1
SCHEMBL3100596 0.77 FDPS (0.33) LAP3ANPEPERAP1GABBR2GABBR1
SCHEMBL3100608 0.77 FDPS (0.33) LAP3ANPEPERAP1GABBR2GABBR1
SCHEMBL3087573 0.74 LAP3 (0.36) LAP3ANPEPERAP1
SCHEMBL3087571 0.74 LAP3 (0.36) LAP3ANPEPERAP1

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