SCHEMBL3097950

SCHEMBL3097950

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.37
RNPEP Q9H4A4 1/20 0.36
CPB2 Q96IY4 6/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
PPARD Q03181 1/20 0.31
TSHR P16473 1/20 0.31
EPOR P19235 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
FOLH1 Q04609 1/20 0.30

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
SCHEMBL3095342 0.96 CPB2 (0.33) GSRRNPEPCPB2MEN1KMT2A
SCHEMBL3087485 0.86 GSR (0.37) GSRRNPEPCPB2MEN1KMT2A
SCHEMBL3098894 0.82 CPB2 (0.33) GSRRNPEPCPB2MEN1KMT2A
SCHEMBL2985129 0.81 GSR (0.42) GSRRNPEPCPB2CYP1A2TSHR
SCHEMBL2985130 0.81 GSR (0.42) GSRRNPEPCPB2CYP1A2TSHR
SCHEMBL3101435 0.80 CA12 (0.35) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL3094645 0.79 PPARD (0.40) MEN1KMT2APPARDTSHRGAA
SCHEMBL3086434 0.78 CPB2 (0.35) GSRCPB2MEN1KMT2ACYP1A2
SCHEMBL28509039 0.77 GSR (0.47) GSRRNPEPCPB2FOLH1
SCHEMBL2991538 0.76 CPB2 (0.37) GSRRNPEPCPB2CYP1A2TSHR

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