SCHEMBL6662450

SCHEMBL6662450

COc1ccc([C@H](NC(c2ccccc2)c2ccccc2)P(=O)(O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 6/20 0.75
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SLC6A9 P48067 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 0.86 ACP3 (0.66) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6664267 0.85 ACP3 (0.56) ACP3ALDH1A1KMT2ATP53CYP3A4
SCHEMBL6665251 0.80 ACP3 (0.55) ACP3ALDH1A1GAAGRIN2DGRIN3B
SCHEMBL6661922 0.80 ACP3 (0.55) ACP3KMT2ANPSR1LMNAMEN1
SCHEMBL11496261 0.77 ACP3 (0.73) ACP3ALDH1A1KMT2ATDP1POLB
SCHEMBL13164343 0.76 ALDH1A1 (0.54) ACP3ALDH1A1KMT2ATP53CYP3A4
SCHEMBL4629661 0.76 ATM (0.59) ACP3ALDH1A1KMT2ATP53CYP3A4
SCHEMBL21836231 0.74 ALDH1A1 (0.62) ACP3ALDH1A1KMT2ATP53CYP3A4
SCHEMBL21836229 0.74 ALDH1A1 (0.62) ACP3ALDH1A1KMT2ATP53CYP3A4
SCHEMBL6660926 0.74 ALDH1A1 (0.55) ACP3ALDH1A1KMT2AGAATDP1

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