SCHEMBL8675610

SCHEMBL8675610

CCNCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 12/20 0.48
ANPEP P15144 4/20 0.42
GGPS1 O95749 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ERAP2 Q6P179 1/20 0.37
LAP3 P28838 1/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP8 P22894 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL7074253 0.81 ANPEP (0.64) FDPSANPEPGGPS1ERAP2MMP1
SCHEMBL8674573 0.78 ANPEP (0.63) FDPSANPEPERAP2LAP3MMP1
SCHEMBL13698880 0.78 ANPEP (0.42) FDPSANPEPGGPS1ERAP2LAP3
SCHEMBL7538729 0.78 ANPEP (0.58) FDPSANPEPGGPS1ERAP2MMP2
SCHEMBL4102805 0.77 FDPS (0.39) FDPSANPEPKDM4EERAP2MMP2
SCHEMBL11408514 0.76 FDPS (0.56) FDPSANPEPERAP2LAP3
SCHEMBL8674064 0.74 ANPEP (0.69) FDPSANPEPGGPS1ERAP2
SCHEMBL11418940 0.74 ANPEP (0.69) FDPSANPEPGGPS1ERAP2
SCHEMBL3059482 0.74 ANPEP (0.69) FDPSANPEPGGPS1ERAP2
SCHEMBL11056866 0.74 ANPEP (0.58) FDPSANPEP

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
US-4216163-A SEQUESTERING AGENTS BENCKISER-KNAPSACK GMBH (DE) 1980-08-05 US disclosed
EP-0000930-A1 N-Carboxyalkane-aminoalkane-diphosphonic acids, N-carboxyalkane-azacycloalkane-diphosphonic acids and N-carboxyalkane-aminoarylkane diphosphonic acids, process for their preparation and their use as sequestering agents Benckiser-Knapsack GmbH (DE) 1979-03-07 EP disclosed