SCHEMBL6661922

SCHEMBL6661922

O=P(O)(O)[C@@H](NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 8/20 0.55
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A9 P48067 2/20 0.46
SLC6A5 Q9Y345 2/20 0.46
CNR1 P21554 2/20 0.45
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6661298 0.90 ACP3 (0.66) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6665251 0.84 ACP3 (0.55) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6667125 0.80 ALDH1A1 (0.48) ACP3MEN1KMT2ASLC6A9SLC6A5
SCHEMBL6662450 0.80 ACP3 (0.75) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9511748 0.78 IDO1 (0.52) MEN1KMT2ASLC6A9SLC6A5CNR1
SCHEMBL7413588 0.71 MMP2 (0.66) CYP1A2
SCHEMBL21836282 0.70 MEN1 (0.52) MEN1KMT2ASLC6A9SLC6A5CNR1
SCHEMBL21836281 0.70 MEN1 (0.52) MEN1KMT2ASLC6A9SLC6A5CNR1
SCHEMBL6665204 0.70 ACP3 (0.54) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8056108 0.70 ACP3 (0.54) ACP3GRIN2DGRIN3BGRIN1GRIN2A

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 3 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 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