SCHEMBL3085204

SCHEMBL3085204

CSCC[C@H](NCC=CP(=O)(O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
CA2 P00918 2/20 0.38
MAPK1 P28482 2/20 0.38
CA1 P00915 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
USP2 O75604 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3088038 0.83 GGH (0.36)
SCHEMBL3089820 0.81 GGH (0.33) CA2ALOX15
SCHEMBL3075119 0.80 GGH (0.33) KDM4EALOX15
SCHEMBL3093833 0.80 GGH (0.50)
SCHEMBL3082704 0.78 TGFBR1 (0.37) CA2CA1
SCHEMBL3083190 0.78 KMT2A (0.39) L3MBTL1CA2CA1ALOX15
SCHEMBL3083367 0.78 FOLH1 (0.38) CA2CA1RNPEP
SCHEMBL3088676 0.77 LAP3 (0.45) ALDH1A1L3MBTL1LMNA
SCHEMBL3084493 0.77 CA2 (0.33) KDM4ECA2ALOX15
SCHEMBL3076723 0.77 FOLH1 (0.43) CA2CA1RNPEP

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