SCHEMBL3096182

SCHEMBL3096182

C=CC(NC(C(=O)O)C(O)c1ccccc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
SRC P12931 1/20 0.39
ACP3 P15309 4/20 0.37
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HPGD P15428 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3096190 1.00 CA1 (0.44) CA1CA2SRCACP3CYP2C19
SCHEMBL3087261 0.75 CA2 (0.34) CA1CA2
SCHEMBL3087266 0.75 CA2 (0.34) CA1CA2
SCHEMBL3075611 0.73 CA2 (0.33) CA1CA2LMNAHPGD
SCHEMBL3075614 0.73 CA2 (0.33) CA1CA2LMNAHPGD
SCHEMBL2988564 0.73 CA1 (0.45) CA1CA2SRCACP3LMNA
SCHEMBL2988567 0.73 CA1 (0.45) CA1CA2SRCACP3LMNA
SCHEMBL2320683 0.72 LMNA (0.50) CA1CA2SRCCYP2C19LMNA
SCHEMBL2466763 0.72 LMNA (0.50) CA1CA2SRCCYP2C19LMNA
SCHEMBL13957303 0.72 ADRA2C (0.48) CA1CA2SRCCYP2C19LMNA

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