SCHEMBL3084100

SCHEMBL3084100

CCCCCCCC([NH])P(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.63
LAP3 P28838 2/20 0.59
S1PR2 O95136 5/20 0.53
S1PR1 P21453 5/20 0.53
S1PR3 Q99500 5/20 0.53
S1PR4 O95977 4/20 0.53
LPAR3 Q9UBY5 3/20 0.52
LPAR2 Q9HBW0 1/20 0.52
SMPD1 P17405 3/20 0.52

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
SCHEMBL3076457 0.91 FDPS (0.60) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL3088085 0.81
SCHEMBL3087933 0.80 FDPS (0.40) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL16798849 0.77 FDPS (0.68) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL8334357 0.77 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL9701607 0.77 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL3815170 0.77 FDPS (0.68) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL9614565 0.77 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL16799205 0.77 FDPS (0.68) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL6442013 0.77 FDPS (0.68) FDPSLAP3S1PR2S1PR1S1PR3

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