SCHEMBL6661298

SCHEMBL6661298

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 13/20 0.66
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
SRC P12931 1/20 0.52
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HPGDS O60760 1/20 0.41

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
SCHEMBL6665251 0.90 ACP3 (0.55) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6661922 0.90 ACP3 (0.55) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6662450 0.86 ACP3 (0.75) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6665204 0.78 ACP3 (0.54) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8056108 0.78 ACP3 (0.54) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11759902 0.76 ACP3 (0.56) ACP3SRCCA12CA9
SCHEMBL11450263 0.76 CA9 (0.62) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6660926 0.76 ALDH1A1 (0.55) ACP3
SCHEMBL6663173 0.76 ACP3 (0.51) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6663140 0.76 ACP3 (0.51) 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