SCHEMBL8674573

SCHEMBL8674573

CC(C)CNCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 7/20 0.63
MMP1 P03956 1/20 0.45
MMP8 P22894 1/20 0.45
FDPS P14324 9/20 0.41
LAP3 P28838 2/20 0.38
ERAP1 Q9NZ08 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ERAP2 Q6P179 1/20 0.35

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
SCHEMBL13698880 0.80 ANPEP (0.42) ANPEPMMP1MMP8FDPSLAP3
SCHEMBL8675610 0.78 FDPS (0.48) ANPEPMMP1MMP8FDPSLAP3
SCHEMBL10050589 0.78 ANPEP (0.59) ANPEPMMP1MMP8LAP3ERAP1
SCHEMBL11420496 0.77 ANPEP (0.44) ANPEPFDPSLAP3ERAP1ERAP2
SCHEMBL12873247 0.76 ANPEP (0.57) ANPEPMMP1MMP8LAP3ERAP1
SCHEMBL4102805 0.75 FDPS (0.39) ANPEPFDPSERAP2
SCHEMBL7074253 0.74 ANPEP (0.64) ANPEPMMP1FDPSERAP2
SCHEMBL29183579 0.74 ANPEP (0.54) ANPEPMMP1MMP8ADH1BADH1C
SCHEMBL29183577 0.74 ANPEP (0.54) ANPEPMMP1MMP8ADH1BADH1C
SCHEMBL8675602 0.73 FDPS (0.42) ANPEPMMP1MMP8FDPSLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722268-A1 HERBICIDAL AZA BISPHOSPHONIC ACID COMPOSITIONS ZENECA LIMITED (GB) 1996-07-24 EP claimed
WO-1995010188-A2 HERBICIDAL AZA BISPHOSPHONIC ACID COMPOSITIONS ZENECA LIMITED (GB) 1995-04-20 WO claimed
US-5728650-A Herbicidal aza bisphosphonic acids and compositions containing the same ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0722268-A1 HERBICIDAL AZA BISPHOSPHONIC ACID COMPOSITIONS ZENECA LIMITED (GB) 1996-07-24 EP disclosed
WO-1995010188-A2 HERBICIDAL AZA BISPHOSPHONIC ACID COMPOSITIONS ZENECA LIMITED (GB) 1995-04-20 WO disclosed