SCHEMBL8339034

SCHEMBL8339034

O=P(O)(O)C(N1CCOCC1)P(=O)(O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
FDPS P14324 3/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
Morpholinomethylenediphosphonic Acid SCHEMBL3058156 0.77 FDPS (0.60) ANPEPFDPSPOLBGAAL3MBTL1
SCHEMBL4359124 0.77 FDPS (0.49) FDPSKMT2AMEN1
Morpholinomethylenediphosphonic Acid SCHEMBL9156009 0.75 FDPS (0.58) ANPEPFDPSPOLBGAAL3MBTL1
SCHEMBL6667933 0.73 FDPS (0.42) FDPSKMT2AMEN1
SCHEMBL6668133 0.71 CYP3A4 (0.42) FDPS
SCHEMBL5075884 0.69 FDPS (0.45) FDPS
SCHEMBL6670360 0.69 FDPS (0.45) FDPS
SCHEMBL8985144 0.66 POLB (0.38) ANPEPPOLBGAAL3MBTL1KMT2A
SCHEMBL6668405 0.66 FDPS (0.41) FDPSKMT2AMEN1KDM4E
SCHEMBL15726435 0.66 PPARD (0.37) ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856074-A BIOLOGICALLY DEGRADABLE COMPLEXING AGENT, N-/DIPHOSPHONOMETHYL/MORPHOLINE AGFA-GEVAERT AG (DE) 1999-01-05 US disclosed