SCHEMBL8672148

SCHEMBL8672148

C=CCCNCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.37
FDPS P14324 3/20 0.33
ERAP2 Q6P179 2/20 0.33
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL8673836 0.79 FDPS (0.35) ANPEPFDPS
SCHEMBL9451730 0.74 ANPEP (0.42) ANPEPFDPSERAP2
SCHEMBL8670808 0.73 HMGCR (0.37)
SCHEMBL4197249 0.72 ANPEP (0.41) ANPEPFDPSERAP2
SCHEMBL7074253 0.72 ANPEP (0.64) ANPEPFDPSERAP2
SCHEMBL11660087 0.71 ANPEP (0.44) ANPEPFDPSERAP2
SCHEMBL5935325 0.69 FOLH1 (0.41) ANPEPFDPS
SCHEMBL7538729 0.69 ANPEP (0.58) ANPEPFDPSERAP2
SCHEMBL4102805 0.69 FDPS (0.39) ANPEPFDPSERAP2
SCHEMBL9317641 0.68

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