SCHEMBL2989744

SCHEMBL2989744

NC(=O)NCCCC(NCP(=O)(O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.45
OTC P00480 1/20 0.44
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
MME P08473 4/20 0.36
ECE1 P42892 4/20 0.36
SHMT1 P34896 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
GGT1 P19440 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FOLH1 Q04609 3/20 0.33
KLK7 P49862 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 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
SCHEMBL2989750 1.00 C3AR1 (0.45) C3AR1OTCFNTAFNTBMME
SCHEMBL2989505 0.95 C3AR1 (0.41) C3AR1OTCFNTAFNTBMME
SCHEMBL27764519 0.95 C3AR1 (0.41) C3AR1OTCFNTAFNTBMME
SCHEMBL3100823 0.89 OTC (0.39) C3AR1OTCFNTAFNTBMME
SCHEMBL3100850 0.89 OTC (0.39) C3AR1OTCFNTAFNTBMME
SCHEMBL2991505 0.88 OTC (0.42) C3AR1OTCFNTAFNTBMME
SCHEMBL2991514 0.88 OTC (0.42) C3AR1OTCFNTAFNTBMME
SCHEMBL3091869 0.84 CA12 (0.35) C3AR1OTCFNTAFNTBFOLH1
SCHEMBL2985776 0.84 OTC (0.38) C3AR1OTCFNTAFNTBMME
SCHEMBL27743692 0.84 OTC (0.38) C3AR1OTCFNTAFNTBMME

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 18 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
CN-101395164-A N- (phosphonoalkyl) -amino acids, derivatives and compositions thereof, and methods of use SCOTT EUGENE J VAN YU RUEY J (US) 2009-03-25 CN 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
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US 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
CN-101395164-A N- (phosphonoalkyl) -amino acids, derivatives and compositions thereof, and methods of use SCOTT EUGENE J VAN YU RUEY J (US) 2009-03-25 CN 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