SCHEMBL2991927

SCHEMBL2991927

N=C(N)NCCCC(NCCP(=O)(O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.41
C3AR1 Q16581 1/20 0.35
GGT1 P19440 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
BHMT Q93088 1/20 0.33
ALOX15 P16050 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
FOLH1 Q04609 4/20 0.32
NOD1 Q9Y239 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPY4R P50391 2/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
NPY5R Q15761 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
SCHEMBL3098116 0.90 OTC (0.36) OTCALOX15MEN1KMT2ACYP1A2
SCHEMBL2991505 0.87 OTC (0.42) OTCC3AR1GGT1FNTAFNTB
SCHEMBL2991514 0.87 OTC (0.42) OTCC3AR1GGT1FNTAFNTB
Phosphoric Acid SCHEMBL29903214 0.86 GGT1 (0.48) OTCC3AR1GGT1FNTAFNTB
SCHEMBL144726 0.85 GGT1 (0.40) OTCC3AR1GGT1ALOX15ITGB3
SCHEMBL28080169 0.83 C3AR1 (0.39) OTCC3AR1GGT1ALOX15ITGB3
SCHEMBL2438028 0.83 C3AR1 (0.39) OTCC3AR1GGT1ALOX15ITGB3
SCHEMBL1149706 0.83 NOD1 (0.43) OTCC3AR1GGT1ALOX15ITGB3
SCHEMBL2985776 0.83 OTC (0.38) OTCC3AR1FNTAFNTBALOX15
SCHEMBL27743692 0.83 OTC (0.38) OTCC3AR1FNTAFNTBALOX15

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 15 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 claimed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US claimed
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US claimed
JP-2009526755-A 2009-07-23 JP claimed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US claimed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP claimed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO claimed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US claimed
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