SCHEMBL5572484

SCHEMBL5572484

CC(N)C(O)(P(=O)(O)O)P(=O)(O)O.[Na]

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.48
LAP3 P28838 4/20 0.40
LMNA P02545 2/20 0.39
ANPEP P15144 4/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
METAP1 P53582 1/20 0.32
ADRB3 P13945 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3A Q14432 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
SCHEMBL5496511 0.97 FDPS (0.50) FDPSLAP3LMNAANPEPERAP1
SCHEMBL3936724 0.97 FDPS (0.50) FDPSLAP3LMNAANPEPERAP1
SCHEMBL4436425 0.81 FDPS (0.42) FDPSLAP3LMNAANPEPERAP1
SCHEMBL5059565 0.77 FDPS (0.46) FDPSLAP3LMNAANPEPERAP1
SCHEMBL6663397 0.77 FDPS (0.38) FDPSLAP3LMNA
SCHEMBL7511455 0.75 LMNA (0.45) FDPSLAP3LMNAALDH1A1
SCHEMBL16091906 0.72 FDPS (0.52) FDPSLAP3LMNAANPEPERAP1
SCHEMBL5318557 0.70 FDPS (0.46) FDPSLAP3LMNAANPEPERAP1
SCHEMBL5489929 0.70 LAP3 (0.46) FDPSLAP3LMNAMETAP1ADRB3
SCHEMBL6132043 0.70 LAP3 (0.46) FDPSLAP3LMNAMETAP1ADRB3

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-1848728-A1 IBANDRONATE POLYMORPH A F.HOFFMANN-LA ROCHE AG (CH) 2007-10-31 EP disclosed
WO-2006081963-A1 IBANDRONATE POLYMORPH A F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed