SCHEMBL3097218

SCHEMBL3097218

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 6/20 0.44
ANPEP P15144 5/20 0.44
ERAP1 Q9NZ08 2/20 0.44
FPR2 P25090 1/20 0.38
HPGDS O60760 2/20 0.37
ERAP2 Q6P179 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CNR2 P34972 2/20 0.36
MMP1 P03956 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3097226 1.00 LAP3 (0.44) LAP3ANPEPERAP1FPR2HPGDS
SCHEMBL2995568 0.83 LAP3 (0.51) LAP3ANPEPERAP1FPR2ALDH1A1
SCHEMBL2995572 0.83 LAP3 (0.51) LAP3ANPEPERAP1FPR2ALDH1A1
SCHEMBL4442494 0.81 MMP1 (0.45) LAP3ANPEPERAP1FPR2MMP1
SCHEMBL4341296 0.81 LAP3 (0.40) LAP3ANPEPMMP1CA12CA1
SCHEMBL3091760 0.79 MME (0.36) CA12CA1CA9MEN1KMT2A
SCHEMBL3091754 0.79 MME (0.36) CA12CA1CA9MEN1KMT2A
SCHEMBL3103058 0.78 FPR2 (0.44) LAP3FPR2HPGDSCNR2MMP1
SCHEMBL3098107 0.78 FDPS (0.42) LAP3ANPEPCA1
SCHEMBL3098115 0.78 FDPS (0.42) LAP3ANPEPCA1

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