SCHEMBL3100524

SCHEMBL3100524

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.37
ANPEP P15144 5/20 0.33
ERAP1 Q9NZ08 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MMP1 P03956 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP8 P22894 1/20 0.31
HPGDS O60760 1/20 0.31
ECE1 P42892 1/20 0.31
METAP1 P53582 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 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
SCHEMBL3100531 1.00 LAP3 (0.37) LAP3ANPEPERAP1ALDH1A1MMP1
SCHEMBL3102882 0.86 ANPEP (0.32) LAP3ANPEPERAP1ALDH1A1MMP1
SCHEMBL3102891 0.86 ANPEP (0.32) LAP3ANPEPERAP1ALDH1A1MMP1
SCHEMBL3097247 0.83 ENPEP (0.37) LAP3ANPEPALDH1A1MMP1MMP8
SCHEMBL3097239 0.83 ENPEP (0.37) LAP3ANPEPALDH1A1MMP1MMP8
SCHEMBL2991220 0.82 SMN1; SMN2 (0.36) LAP3ALDH1A1ECE1
SCHEMBL14502982 0.82 SMN1; SMN2 (0.36) LAP3ALDH1A1ECE1
SCHEMBL2991217 0.82 SMN1; SMN2 (0.36) LAP3ALDH1A1ECE1
SCHEMBL3099206 0.79 ANPEP (0.35) LAP3ANPEPERAP1ALDH1A1MMP1
SCHEMBL3099197 0.79 ANPEP (0.35) LAP3ANPEPERAP1ALDH1A1MMP1

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