SCHEMBL3209764

SCHEMBL3209764

O=C(O)[C@H](Cc1ccc(O)cc1)N(CC=CP(=O)(O)O)CC=CP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
POLB P06746 1/20 0.37
ANPEP P15144 2/20 0.37
ERAP2 Q6P179 2/20 0.37
ERAP1 Q9NZ08 2/20 0.37
LAP3 P28838 1/20 0.37
ENPEP Q07075 1/20 0.37
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
FOLH1 Q04609 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMPD2 O60906 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPOR P19235 1/20 0.34

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
SCHEMBL3202888 0.89 CYP1A2 (0.41) SLC7A5ANPEPERAP2LAP3FOLH1
SCHEMBL5137033 0.79 SLC7A5 (0.47) SLC7A5POLBESR1ESR2FOLH1
SCHEMBL5137034 0.79 SLC7A5 (0.47) SLC7A5POLBESR1ESR2FOLH1
SCHEMBL2992444 0.79 SLC7A5 (0.47) SLC7A5POLBANPEPERAP2ERAP1
SCHEMBL2992448 0.79 SLC7A5 (0.47) SLC7A5POLBANPEPERAP2ERAP1
SCHEMBL3226752 0.78 GRM8 (0.38) SLC7A5
SCHEMBL3195177 0.76 EPOR (0.42) FOLH1SMPD2TDP1EPOR
SCHEMBL7025165 0.75 SLC7A5 (0.50) SLC7A5POLBANPEPERAP2ERAP1
SCHEMBL9997409 0.75 SLC7A5 (0.50) SLC7A5POLBANPEPERAP2ERAP1
SCHEMBL3217791 0.75 SMPD2 (0.43) SMPD2

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