SCHEMBL11202252

SCHEMBL11202252

B.CN(C)C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.48
LAP3 P28838 2/20 0.33
CA2 P00918 1/20 0.33
GGPS1 O95749 3/20 0.30
ANPEP P15144 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MMP2 P08253 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL282484 0.97 FDPS (0.50) FDPSLAP3CA2GGPS1ANPEP
Water SCHEMBL5697421 0.94 FDPS (0.48) FDPSLAP3CA2GGPS1ANPEP
SCHEMBL11572545 0.94 FDPS (0.48) FDPSLAP3CA2GGPS1ANPEP
SCHEMBL1185951 0.78 FDPS (0.50) FDPSLAP3CA2GGPS1ANPEP
SCHEMBL61410 0.69 FDPS (0.48) FDPSLAP3CA2ANPEPKDM4E
SCHEMBL11656003 0.69 FDPS (0.42) FDPS
SCHEMBL13395519 0.69 FDPS (0.61) FDPSLAP3GGPS1MMP2
SCHEMBL11653622 0.69 FDPS (0.42) FDPSANPEP
SCHEMBL11312086 0.69 FDPS (0.42) FDPS
SCHEMBL743810 0.69

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
EP-0068584-A1 Boron containing polyphosphonates for the treatment of calcific tumors THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed