SCHEMBL3087485

SCHEMBL3087485

CCOP(=O)(CN(O)[C@@H](CCCCN)C(=O)O)OCC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.37
RNPEP Q9H4A4 1/20 0.36
CPB2 Q96IY4 6/20 0.35
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARD Q03181 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
SCHEMBL3098894 0.96 CPB2 (0.33) GSRRNPEPCPB2MEN1CYP1A2
SCHEMBL3086434 0.89 CPB2 (0.35) GSRCPB2MEN1CYP1A2KMT2A
SCHEMBL3097950 0.86 GSR (0.37) GSRRNPEPCPB2MEN1CYP1A2
SCHEMBL3109162 0.84 MEN1 (0.33) CPB2MEN1CYP1A2KMT2APPARD
SCHEMBL3095342 0.82 CPB2 (0.33) GSRRNPEPCPB2MEN1CYP1A2
SCHEMBL3100745 0.82 CA12 (0.36) MEN1KMT2A
SCHEMBL3102609 0.81 CA12 (0.37) MEN1KMT2A
SCHEMBL3098743 0.81 FOLH1 (0.35) MEN1CYP1A2KMT2APPARD
SCHEMBL3103459 0.80 CA12 (0.35) MEN1KMT2A
SCHEMBL2993454 0.79 GSR (0.43) GSRRNPEPCPB2

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