SCHEMBL6663750

SCHEMBL6663750

O=P(O)(O)C(Cc1ccccc1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 10/20 0.57
LAP3 P28838 3/20 0.50
ANPEP P15144 1/20 0.50
MME P08473 2/20 0.47
ECE1 P42892 2/20 0.47
SRC P12931 1/20 0.44
CYP2D6 P10635 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
SCHEMBL6663742 1.00 ACP3 (0.57) ACP3LAP3ANPEPMMEECE1
SCHEMBL8050570 0.81 ACP3 (0.46) ACP3ANPEPSRC
SCHEMBL6662872 0.81 ACP3 (0.46) ACP3ANPEPSRC
SCHEMBL6663779 0.80 LAP3 (0.44) ACP3LAP3ANPEP
SCHEMBL6665273 0.79 ACP3 (0.47) ACP3LAP3ANPEPSRC
SCHEMBL6660908 0.79 ACP3 (0.44) ACP3ANPEPSRC
SCHEMBL6660913 0.79 ACP3 (0.44) ACP3ANPEPSRC
SCHEMBL8038647 0.79 ACP3 (0.47) ACP3LAP3ANPEPSRC
SCHEMBL1655192 0.76 LAP3 (0.58) ACP3LAP3ANPEPMMEECE1
SCHEMBL6658782 0.75 NPSR1 (0.43) ACP3LAP3

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 2 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