SCHEMBL3075730

SCHEMBL3075730

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACE P12821 1/20 0.36
CA2 P00918 3/20 0.34
CA4 P22748 1/20 0.34
FOLH1 Q04609 1/20 0.34
CA1 P00915 2/20 0.34
GGH Q92820 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
SCHEMBL3075725 1.00 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3075116 0.87 CA2 (0.33) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3075113 0.87 CA2 (0.33) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3082698 0.84 TGFBR1 (0.39) CA2CA4CA1GGH
SCHEMBL3082696 0.84 TGFBR1 (0.39) CA2CA4CA1GGH
SCHEMBL3079578 0.83 CA2 (0.49) BLMCA2CA4FOLH1CA1
SCHEMBL3079584 0.83 CA2 (0.49) BLMCA2CA4FOLH1CA1
SCHEMBL3089817 0.81 CA2 (0.33) CA2CA4FOLH1GGH
SCHEMBL3089813 0.81 CA2 (0.33) CA2CA4FOLH1GGH
SCHEMBL3088032 0.80 FDPS (0.37) CA2CA4GGH

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