SCHEMBL3216730

SCHEMBL3216730

C=CC(N=C(N)N(CCC(=O)O)C(C=C)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL3213895 0.92 FOLH1 (0.30)
SCHEMBL3218731 0.86
SCHEMBL3095561 0.80 SLC6A2 (0.36) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL3093331 0.72 FOLH1 (0.34) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL3208437 0.72 FOLH1 (0.37) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL3067207 0.68 SLC6A2 (0.31) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL3219920 0.66 FOLH1 (0.39) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL7559988 0.63 TSHR (0.36) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL3217096 0.62 FOLH1 (0.34) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL3212636 0.62 MEN1 (0.34) SLC6A2SLC6A4BLMSLC6A3MEN1

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
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
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed