SCHEMBL2987516

SCHEMBL2987516

O=C(O)[C@H](Cc1ccc(O)c(O)c1)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.53
KDM4E B2RXH2 7/20 0.51
HSD17B10 Q99714 6/20 0.51
TDP1 Q9NUW8 6/20 0.51
RECQL P46063 5/20 0.51
ALOX15 P16050 4/20 0.51
HIF1A Q16665 4/20 0.51
USP2 O75604 3/20 0.51
ADORA3 P0DMS8 2/20 0.51
HTR2A P28223 2/20 0.51
PTGS2 P35354 2/20 0.51
LCK P06239 2/20 0.51
FYN P06241 2/20 0.51
EGFR P00533 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC7A5 Q01650 1/20 0.51
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
PLA2G1B P04054 1/20 0.44
CA1 P00915 2/20 0.43

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
SCHEMBL2987512 1.00 KDM6B (0.53) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL3097891 0.87 ALOX15 (0.47) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL2992444 0.84 SLC7A5 (0.47) SLC7A5MMEACECA1CA2
SCHEMBL2992448 0.84 SLC7A5 (0.47) SLC7A5MMEACECA1CA2
SCHEMBL2991862 0.80 LAP3 (0.50) PTGS1SLC7A5CYP1A2PKM
SCHEMBL2991859 0.80 LAP3 (0.50) PTGS1SLC7A5CYP1A2PKM
SCHEMBL29913698 0.79 KDM6B (0.62) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL30311959 0.78 KDM6B (0.54) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL471986 0.77 KDM6B (0.60) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL31746120 0.77 KDM4E (0.63) KDM6BKDM4EHSD17B10TDP1RECQL

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 14 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
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-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