SCHEMBL3109162

SCHEMBL3109162

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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
CPB2 Q96IY4 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3086434 0.96 CPB2 (0.35) MEN1KMT2ACYP1A2PPARDTSHR
SCHEMBL3098894 0.89 CPB2 (0.33) MEN1KMT2ACYP1A2PPARDTSHR
SCHEMBL3087485 0.84 GSR (0.37) MEN1KMT2ACYP1A2PPARDCPB2
SCHEMBL3108100 0.84 CA12 (0.37) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL3105927 0.83 GABRP (0.36) MEN1KMT2APPARDTSHRGAA
SCHEMBL3108218 0.82 CA12 (0.35) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL3106054 0.81 CA12 (0.38) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL3094211 0.79 LMNA (0.36) CYP1A2TSHRCPB2
SCHEMBL3094189 0.79 LMNA (0.36) CYP1A2TSHRCPB2
SCHEMBL3095342 0.77 CPB2 (0.33) MEN1KMT2ACYP1A2PPARDTSHR

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