SCHEMBL9561646

SCHEMBL9561646

CCN(CC)P(=O)(O)CP(=O)(O)N(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.40
MMP2 P08253 3/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP8 P22894 2/20 0.40
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA2 P00918 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LAP3 P28838 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1097717 0.78 FDPS (0.37) FDPSMMP2MMP1MMP3MMP8
SCHEMBL8846672 0.78 FDPS (0.37) FDPSMMP2MMP1MMP3MMP8
SCHEMBL181792 0.75
SCHEMBL11731209 0.75 FDPS (0.43) FDPSMMP2MMP1MMP3MMP8
SCHEMBL2961086 0.75
SCHEMBL2962794 0.71
SCHEMBL10519965 0.71
SCHEMBL9357872 0.71
SCHEMBL8721001 0.69 L3MBTL1 (0.33) FDPSMMP2MMP1MMP3MMP8
SCHEMBL13374683 0.69 MMP2 (0.39) FDPSMMP2MMP1MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570380-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-11-24 EP disclosed
WO-1992011268-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed