SCHEMBL3085607

SCHEMBL3085607

O=C(O)CN(CC=CP(=O)(O)O)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 6/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA2 P00918 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ESRRB O95718 1/20 0.32

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
SCHEMBL3077634 0.88 TDP1 (0.36) ALDH1A1KDM4ETSHRKMT2APOLB
SCHEMBL13645018 0.77 CA2 (0.46) ESRRGALDH1A1MAPTCYP3A4HPGD
SCHEMBL2985103 0.76 CA2 (0.37) ESRRGALDH1A1MAPTKDM4EMEN1
SCHEMBL28538693 0.73 CA2 (0.43) ESRRGALDH1A1MAPTKDM4ECYP3A4
SCHEMBL7559996 0.71 TDP1 (0.42) KDM4EMEN1HPGDALOX15TSHR
SCHEMBL3212653 0.71 TDP1 (0.42) KDM4EMEN1HPGDALOX15TSHR
SCHEMBL8483627 0.71 ESRRG (0.48) ESRRGALDH1A1MAPTKDM4EMEN1
SCHEMBL13644973 0.69 CA2 (0.42) ESRRGALDH1A1MAPTKDM4ECYP3A4
SCHEMBL8038936 0.69 TDP1 (0.44) ALDH1A1MAPTKDM4EMEN1ALOX15
SCHEMBL3084567 0.67 MVD (0.40)

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