SCHEMBL3202888

SCHEMBL3202888

O=C(O)[C@H](Cc1ccccc1)N(CC=CP(=O)(O)O)CC=CP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
LAP3 P28838 3/20 0.41
ANPEP P15144 2/20 0.41
SMPD2 O60906 1/20 0.40
ACP3 P15309 2/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ERAP2 Q6P179 1/20 0.38
EPOR P19235 1/20 0.38
CPA1 P15085 2/20 0.37
CPA3 P15088 2/20 0.37
FOLH1 Q04609 1/20 0.37
CPB1 P15086 1/20 0.37
CPB2 Q96IY4 1/20 0.37

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
SCHEMBL3209764 0.89 SLC7A5 (0.42) LAP3ANPEPSMPD2SLC7A5ERAP2
SCHEMBL2991862 0.77 LAP3 (0.50) CYP1A2LAP3ANPEPACP3ALPI
SCHEMBL2991859 0.77 LAP3 (0.50) CYP1A2LAP3ANPEPACP3ALPI
SCHEMBL2296250 0.77 CYP1A2 (0.47) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL2296245 0.77 CYP1A2 (0.47) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL3217791 0.77 SMPD2 (0.43) SMPD2
SCHEMBL3190718 0.77 SRC (0.37) SMPD2ACP3
SCHEMBL3226044 0.75 SMPD2 (0.31) SMPD2
SCHEMBL3195177 0.75 EPOR (0.42) SMPD2EPORFOLH1
SCHEMBL8610496 0.75 ALPI (0.46) CYP1A2ALPIPKMPTGS1XIAP

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