SCHEMBL3095342

SCHEMBL3095342

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
PPARD Q03181 1/20 0.32
TSHR P16473 1/20 0.32
GSR P00390 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RNPEP Q9H4A4 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
SCHEMBL3097950 0.96 GSR (0.37) CPB2MEN1KMT2ACYP1A2PPARD
SCHEMBL3098894 0.86 CPB2 (0.33) CPB2MEN1KMT2ACYP1A2PPARD
SCHEMBL3087485 0.82 GSR (0.37) CPB2MEN1KMT2ACYP1A2PPARD
SCHEMBL3101435 0.81 CA12 (0.35) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL2991538 0.80 CPB2 (0.37) CPB2CYP1A2TSHRGSRRNPEP
SCHEMBL3094645 0.80 PPARD (0.40) MEN1KMT2APPARDTSHRGAA
SCHEMBL2991543 0.80 CPB2 (0.37) CPB2CYP1A2TSHRGSRRNPEP
SCHEMBL3109162 0.77 MEN1 (0.33) CPB2MEN1KMT2ACYP1A2PPARD
SCHEMBL2985129 0.76 GSR (0.42) CPB2CYP1A2TSHRGSRRNPEP
SCHEMBL2985130 0.76 GSR (0.42) CPB2CYP1A2TSHRGSRRNPEP

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