SCHEMBL8675602

SCHEMBL8675602

CC(C)NCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.42
ANPEP P15144 5/20 0.39
MMP1 P03956 2/20 0.37
MMP8 P22894 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CA9 Q16790 1/20 0.36
LAP3 P28838 2/20 0.34
ERAP1 Q9NZ08 1/20 0.34

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
SCHEMBL11657954 0.79 FDPS (0.38) FDPSANPEPMMP1MMP8LAP3
SCHEMBL3629699 0.79 FDPS (0.41) FDPSANPEPMMP8CA12CA1
SCHEMBL9195085 0.74
SCHEMBL11056866 0.74 ANPEP (0.58) FDPSANPEP
SCHEMBL8674573 0.73 ANPEP (0.63) FDPSANPEPMMP1MMP8LAP3
SCHEMBL8673802 0.71 ANPEP (0.71) ANPEP
SCHEMBL8764339 0.70 FDPS (0.44) FDPSANPEPMMP2
SCHEMBL5595391 0.70 ANPEP (0.43) ANPEPMMP1MMP8CA12CA1
SCHEMBL8675610 0.70 FDPS (0.48) FDPSANPEPMMP1MMP8CA12
SCHEMBL13698880 0.69 ANPEP (0.42) FDPSANPEPMMP1MMP8CA12

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
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