SCHEMBL8674064

SCHEMBL8674064

CCCCCCNCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.69
ERAP2 Q6P179 1/20 0.69
S1PR2 O95136 6/20 0.61
S1PR1 P21453 6/20 0.61
S1PR3 Q99500 6/20 0.61
S1PR4 O95977 5/20 0.61
S1PR5 Q9H228 1/20 0.61
FDPS P14324 5/20 0.57
GGPS1 O95749 3/20 0.47
LPAR3 Q9UBY5 3/20 0.47
LPAR2 Q9HBW0 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46

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
SCHEMBL3059482 1.00 ANPEP (0.69) ANPEPERAP2S1PR2S1PR1S1PR3
SCHEMBL11418940 1.00 ANPEP (0.69) ANPEPERAP2S1PR2S1PR1S1PR3
SCHEMBL7538729 0.92 ANPEP (0.58) ANPEPERAP2S1PR2S1PR1S1PR3
SCHEMBL7074253 0.84 ANPEP (0.64) ANPEPERAP2S1PR2S1PR1S1PR3
Phosphoric Acid SCHEMBL11503446 0.79 S1PR2 (0.76) ANPEPERAP2S1PR2S1PR1S1PR3
Phosphoric Acid SCHEMBL11024073 0.79 S1PR2 (0.76) ANPEPERAP2S1PR2S1PR1S1PR3
Phosphoric Acid SCHEMBL16774438 0.79 S1PR2 (0.76) ANPEPERAP2S1PR2S1PR1S1PR3
Phosphoric Acid SCHEMBL7115228 0.79 S1PR2 (0.76) ANPEPERAP2S1PR2S1PR1S1PR3
Phosphoric Acid SCHEMBL547511 0.79 S1PR2 (0.76) ANPEPERAP2S1PR2S1PR1S1PR3
Phosphoric Acid SCHEMBL11503444 0.79 S1PR2 (0.76) ANPEPERAP2S1PR2S1PR1S1PR3

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