SCHEMBL3083360

SCHEMBL3083360

C=CC(NC(CCCN)C(=O)O)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.38
CPB2 Q96IY4 1/20 0.34
SLC6A5 Q9Y345 1/20 0.33
ECE1 P42892 1/20 0.33
GSR P00390 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
GNPAT O15228 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
OTC P00480 1/20 0.31
CA4 P22748 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 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
SCHEMBL3083363 1.00 FOLH1 (0.38) FOLH1CPB2SLC6A5ECE1GSR
SCHEMBL3076713 0.95 FOLH1 (0.43) FOLH1CPB2SLC6A5ECE1GSR
SCHEMBL3076716 0.95 FOLH1 (0.43) FOLH1CPB2SLC6A5ECE1GSR
SCHEMBL3089813 0.83 CA2 (0.33) FOLH1CA2CA4GRIN2DGRIN3B
SCHEMBL3089817 0.83 CA2 (0.33) FOLH1CA2CA4GRIN2DGRIN3B
SCHEMBL3204801 0.82 FOLH1 (0.33) FOLH1OTC
SCHEMBL3083184 0.82 CA2 (0.40) FOLH1ECE1NFKB1BLMPMP22
SCHEMBL3083186 0.82 CA2 (0.40) FOLH1ECE1NFKB1BLMPMP22
SCHEMBL3093818 0.81 GGH (0.50) FOLH1NFKB1BLMCA2CA1
SCHEMBL3088028 0.81 FDPS (0.37) CA2CA4GRIN2DGRIN3BGRIN1

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 5 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