SCHEMBL3209111

SCHEMBL3209111

C=CC(N(C(C=C)P(=O)(O)O)[C@@](O)(CCC(=O)O)C(=O)O)P(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.30

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
SCHEMBL3209087 1.00 FOLH1 (0.32) FOLH1SLC6A2SLC6A4BLMSLC6A3
SCHEMBL3263725 0.82 FDPS (0.38) BLMNFKB1
SCHEMBL3263711 0.82 FDPS (0.38) BLMNFKB1
SCHEMBL3224821 0.81 FDPS (0.39) BLMNFKB1
SCHEMBL3224863 0.81 FDPS (0.39) BLMNFKB1
SCHEMBL3225610 0.75
SCHEMBL3225649 0.75
SCHEMBL3217078 0.72
SCHEMBL3208437 0.70 FOLH1 (0.37) FOLH1SLC6A2SLC6A4BLMSLC6A3
SCHEMBL2990340 0.70 FOLH1 (0.33) FOLH1BLMMEN1TSHRKMT2A

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