SCHEMBL3079588

SCHEMBL3079588

O=C(O)C[C@H](NCC=CP(=O)(O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
CA4 P22748 1/20 0.45
FOLH1 Q04609 1/20 0.35
GGH Q92820 1/20 0.34
CA1 P00915 1/20 0.31
CASP3 P42574 1/20 0.31
MME P08473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL3084493 0.87 CA2 (0.33) CA2CA4GGH
SCHEMBL3090641 0.87 ITGB2 (0.36) CA2CA4CA1
SCHEMBL3082704 0.84 TGFBR1 (0.37) CA2CA4GGHCA1
SCHEMBL3093833 0.83 GGH (0.50) FOLH1GGH
SCHEMBL3075734 0.83 KDM4E (0.39) CA2CA4FOLH1GGHCA1
SCHEMBL3089820 0.81 GGH (0.33) CA2CA4GGH
SCHEMBL3075119 0.80 GGH (0.33) FOLH1GGH
SCHEMBL3088676 0.80 LAP3 (0.45) FOLH1
SCHEMBL3088038 0.80 GGH (0.36) FOLH1GGHMMETDP1
SCHEMBL11499007 0.78 CA2 (0.38) CA2CA4FOLH1MMETDP1

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