SCHEMBL3082072

SCHEMBL3082072

C=CC(NC(Cc1ccc(O)cc1)C(=O)O)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
FOLH1 Q04609 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
ACE P12821 4/20 0.44
MME P08473 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SLC7A5 Q01650 1/20 0.42
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ECE1 P42892 1/20 0.40

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
SCHEMBL3082077 1.00 CA1 (0.46) CA1CA2FOLH1NAALAD2ACE
SCHEMBL3090103 0.89 MME (0.48) CA1CA2ACEMMEL3MBTL1
SCHEMBL3090098 0.89 MME (0.48) CA1CA2ACEMMEL3MBTL1
SCHEMBL3502159 0.79 FOLH1 (0.48) CA1CA2FOLH1NAALAD2ACE
SCHEMBL2996598 0.76 MME (0.56) CA1CA2FOLH1NAALAD2ACE
SCHEMBL2989598 0.76 MME (0.56) CA1CA2FOLH1NAALAD2ACE
SCHEMBL1151 0.75 FOLH1 (0.52) CA1CA2FOLH1NAALAD2ACE
SCHEMBL3626589 0.75 FOLH1 (0.52) CA1CA2FOLH1NAALAD2ACE
SCHEMBL3626583 0.75 FOLH1 (0.52) CA1CA2FOLH1NAALAD2ACE
SCHEMBL19521372 0.75 FOLH1 (0.52) CA1CA2FOLH1NAALAD2ACE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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