SCHEMBL3223707

SCHEMBL3223707

C=CC(N(CCCC[C@H](N)C(=O)O)C(C=C)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.42
OTC P00480 1/20 0.42
GSR P00390 1/20 0.42
GLUL P15104 1/20 0.41
ARG2 P78540 4/20 0.39
ARG1 P05089 3/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DDAH1 O94760 1/20 0.37
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36
GRM7 Q14831 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL3190733 0.81
SCHEMBL3199068 0.77
SCHEMBL3219920 0.76 FOLH1 (0.39) KMT2ATDP1
SCHEMBL1951005 0.73 GSR (0.48) BHMTOTCGSRGLULARG2
SCHEMBL3082973 0.71 OTC (0.49) BHMTOTCGSRGLULARG2
SCHEMBL12648651 0.70 BHMT (0.69) BHMTOTCGSRGLULARG2
SCHEMBL13997086 0.70 BHMT (0.69) BHMTOTCGSRGLULARG2
SCHEMBL1978027 0.70 BHMT (0.69) BHMTOTCGSRGLULARG2
SCHEMBL21747440 0.69 BHMT (0.67) BHMTOTCGSRGLULARG2
SCHEMBL21747426 0.69 BHMT (0.67) BHMTOTCGSRGLULARG2

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 7 patents. 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 disclosed
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US disclosed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US disclosed
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US disclosed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US disclosed
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed