SCHEMBL3075717

SCHEMBL3075717

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FPR2 P25090 3/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ENPEP Q07075 2/20 0.34
LAP3 P28838 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 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
SCHEMBL3075719 1.00 ALDH1A1 (0.42) ALDH1A1CA2CA1L3MBTL1FPR2
SCHEMBL3075611 0.83 CA2 (0.33) ALDH1A1CA2CA1FPR2
SCHEMBL3075614 0.83 CA2 (0.33) ALDH1A1CA2CA1FPR2
SCHEMBL3087266 0.82 CA2 (0.34) CA2CA1
SCHEMBL3087261 0.82 CA2 (0.34) CA2CA1
SCHEMBL3092801 0.76 GRIN2D (0.30)
SCHEMBL3092815 0.76 GRIN2D (0.30)
SCHEMBL3088670 0.73 LAP3 (0.45) ALDH1A1CA2CA1L3MBTL1FPR2
SCHEMBL3088028 0.73 FDPS (0.37) CA2FPR2
SCHEMBL3088671 0.73 LAP3 (0.45) ALDH1A1CA2CA1L3MBTL1FPR2

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