SCHEMBL7083349

SCHEMBL7083349

CN(CCN(CCN(C)C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.61
ANPEP P15144 6/20 0.36
LAP3 P28838 3/20 0.34
GGPS1 O95749 3/20 0.32
ERAP1 Q9NZ08 1/20 0.32
ERAP2 Q6P179 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL7080011 1.00 FDPS (0.61) FDPSANPEPLAP3GGPS1ERAP1
SCHEMBL7079157 0.79 FDPS (0.77) FDPSANPEPLAP3GGPS1ERAP1
SCHEMBL12250789 0.79 FDPS (0.64) FDPSLAP3GGPS1S1PR2S1PR1
SCHEMBL9711400 0.77 FDPS (0.45) FDPSANPEPLAP3GGPS1S1PR2
SCHEMBL7080404 0.77 FDPS (0.41) FDPSANPEPGGPS1S1PR2S1PR1
SCHEMBL6740726 0.76 FDPS (0.60) FDPSANPEPLAP3ERAP1ERAP2
SCHEMBL62120 0.76 FDPS (0.60) FDPSANPEPLAP3ERAP1ERAP2
(Dipropylamino)Methylenediphosphonic Acid SCHEMBL12250787 0.76 FDPS (1.00) FDPSLAP3GGPS1S1PR2S1PR1
SCHEMBL10945040 0.76 FDPS (0.60) FDPSANPEPLAP3ERAP1ERAP2
SCHEMBL1131662 0.74 FDPS (0.58) FDPSANPEPLAP3ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216275-A1 Nª,n -dialkyl aminomethylenephosphonic acids and use thereof CRUMP DRUCE K (US) 2003-11-20 US disclosed