SCHEMBL3090638

SCHEMBL3090638

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.38
CA1 P00915 4/20 0.38
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
CA4 P22748 1/20 0.36
ECE1 P42892 2/20 0.35
TGFBR1 P36897 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FOLH1 Q04609 1/20 0.30

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
SCHEMBL3090633 1.00 CA2 (0.38) CA2CA1ITGB2ICAM1ITGAL
SCHEMBL8516420 0.89 ECE1 (0.32) CA2CA1ECE1
SCHEMBL3079584 0.87 CA2 (0.49) CA2CA1CA4MEN1KMT2A
SCHEMBL3079578 0.87 CA2 (0.49) CA2CA1CA4MEN1KMT2A
SCHEMBL3083184 0.84 CA2 (0.40) CA2CA1CA4ECE1MEN1
SCHEMBL3083186 0.84 CA2 (0.40) CA2CA1CA4ECE1MEN1
SCHEMBL3084484 0.84 CA2 (0.36) CA2CA4TGFBR1FOLH1
SCHEMBL3082698 0.81 TGFBR1 (0.39) CA2CA1CA4TGFBR1
SCHEMBL3082696 0.81 TGFBR1 (0.39) CA2CA1CA4TGFBR1
SCHEMBL3075725 0.80 KDM4E (0.39) CA2CA1CA4FOLH1

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