SCHEMBL3095552

SCHEMBL3095552

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
LTA4H P09960 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
SCHEMBL3092815 0.78 GRIN2D (0.30)
SCHEMBL3092801 0.78 GRIN2D (0.30)
SCHEMBL11500311 0.73
SCHEMBL3216700 0.72 LTA4H (0.35) LTA4H
Phosphoric Acid SCHEMBL9074634 0.72 LTA4H (0.36) CA2CA1LTA4H
SCHEMBL2989549 0.71 LTA4H (0.36) LTA4H
SCHEMBL3092404 0.70 APAF1 (0.40)
SCHEMBL3075611 0.68 CA2 (0.33) CA2CA1
SCHEMBL3075614 0.68 CA2 (0.33) CA2CA1
SCHEMBL5489505 0.67 TSHR (0.46)

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 7 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
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed