SCHEMBL6661383

SCHEMBL6661383

CCCC[C@@H](NC(c1ccccc1)c1ccccc1)P(=O)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
POLB P06746 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 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
SCHEMBL6659003 0.96 GAA (0.40) GAAPOLBNPSR1ALDH1A1MAPT
SCHEMBL6665819 0.94 GAA (0.40) GAAPOLBNPSR1ALDH1A1MAPT
SCHEMBL6661782 0.91 GAA (0.43) GAAPOLBNPSR1ALDH1A1MAPT
SCHEMBL6660313 0.85 GAA (0.45) GAAPOLBNPSR1ALDH1A1MAPT
SCHEMBL6664553 0.80 POLB (0.44) POLBNPSR1ALDH1A1MAPTHPGD
SCHEMBL6658525 0.79 NPSR1 (0.40) GAAPOLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL6663779 0.79 LAP3 (0.44) GAAPOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL6658782 0.78 NPSR1 (0.43) GAAPOLBNPSR1SMN1; SMN2HPGD
SCHEMBL6658790 0.78 NPSR1 (0.43) GAAPOLBNPSR1SMN1; SMN2HPGD
SCHEMBL8949630 0.77 GAA (0.43) GAAPOLBNPSR1ALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877028-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEM IND CO (JP) 2004-08-25 EP claimed
EP-0877028-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1998-11-11 EP claimed
EP-0877028-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEM IND CO (JP) 2004-08-25 EP disclosed
US-6084123-A REACTING AN IMINE WITH A PHOSPHONIC ACID ESTER USING AN ASYMMETRIC CATALYST OF A RARE EARTH METAL/ALKALI METAL-BINAPHTHOL COMPLEX; HYDROGENATION AND ACIDOLYSIS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-07-04 US disclosed
EP-0877028-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1998-11-11 EP disclosed