SCHEMBL2817677

SCHEMBL2817677

CC(O)[C@H](NCP(=O)(O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
TP53 P04637 1/20 0.33
MME P08473 2/20 0.33
ECE1 P42892 1/20 0.33
LAP3 P28838 2/20 0.32
ALDH1A1 P00352 1/20 0.32
FOLH1 Q04609 1/20 0.31

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
SCHEMBL2817679 1.00 PGK1 (0.35) PGK1PGK2CA2CA1TP53
SCHEMBL2985648 1.00 PGK1 (0.35) PGK1PGK2CA2CA1TP53
SCHEMBL2991217 0.86 SMN1; SMN2 (0.36) CA2CA1MMEECE1LAP3
SCHEMBL14502982 0.86 SMN1; SMN2 (0.36) CA2CA1MMEECE1LAP3
SCHEMBL11799913 0.86 MME (0.33) PGK1PGK2CA2MMEECE1
SCHEMBL2991220 0.86 SMN1; SMN2 (0.36) CA2CA1MMEECE1LAP3
SCHEMBL3102891 0.82 ANPEP (0.32) LAP3ALDH1A1
SCHEMBL2991880 0.82 ALDH1A1 (0.50) CA2CA1MMEALDH1A1
SCHEMBL2991878 0.82 ALDH1A1 (0.50) CA2CA1MMEALDH1A1
SCHEMBL3102882 0.82 ANPEP (0.32) LAP3ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501050-B Alpha-amino acid phosphonic acid compounds, method of preparation and use thereof THERMPHOS TRADING GMBH 2013-10-30 CN disclosed
US-8505626-B2 α-Amino acid phosphonic acid compounds, method of preparation of use thereof DEQUEST AG (CH) 2013-08-13 US disclosed
EP-2054423-B1 ALPHA-AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION AND USE THEREOF DEQUEST AG (CH) 2012-07-18 EP disclosed
US-20100186961-A1 ALPHA AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION OF USE THEREOF THERMPHOS TRADING GMBH 2010-07-29 US disclosed
EP-2054423-A1 ALPHA-AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION AND USE THEREOF Thermphos Trading GmbH (CH) 2009-05-06 EP disclosed
WO-2008017339-A1 α-AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION AND USE THEREOF THERMPHOS TRADING GMBH (CH) 2008-02-14 WO disclosed
EP-1887011-A1 Alpha amino acid phosphonic acid compounds, method of preparation and use thereof Thermphos Trading GmbH (CH) 2008-02-13 EP disclosed