SCHEMBL3076716

SCHEMBL3076716

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.43
GSR P00390 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
ECE1 P42892 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CPB2 Q96IY4 6/20 0.35
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.32
CPA2 P48052 1/20 0.32
CPA4 Q9UI42 1/20 0.32

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
SCHEMBL3076713 1.00 FOLH1 (0.43) FOLH1GSRSLC6A5RNPEPECE1
SCHEMBL3083360 0.95 FOLH1 (0.38) FOLH1GSRSLC6A5RNPEPECE1
SCHEMBL3083363 0.95 FOLH1 (0.38) FOLH1GSRSLC6A5RNPEPECE1
SCHEMBL3204801 0.84 FOLH1 (0.33) FOLH1
SCHEMBL3089813 0.81 CA2 (0.33) FOLH1CA2
SCHEMBL3089817 0.81 CA2 (0.33) FOLH1CA2
SCHEMBL3083184 0.81 CA2 (0.40) FOLH1ECE1MMP2MMP9CA1
SCHEMBL3083186 0.81 CA2 (0.40) FOLH1ECE1MMP2MMP9CA1
SCHEMBL3088028 0.80 FDPS (0.37) CA2
SCHEMBL3093805 0.80 GGH (0.50) FOLH1CA1CA2

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 9 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
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP disclosed
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed