SCHEMBL8147759

SCHEMBL8147759

NCCCCC(I)C(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.47
PDE3A Q14432 2/20 0.44
LMNA P02545 3/20 0.38
ADRB3 P13945 1/20 0.38
PDE4D Q08499 1/20 0.38
BLM P54132 2/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
GSR P00390 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
CPB2 Q96IY4 2/20 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
SCHEMBL6674916 0.86 FDPS (0.41) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL5493028 0.71 FDPS (0.45) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8619867 0.69 GABBR2 (0.33) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8600008 0.66 FDPS (0.60) FDPSLMNABLMCYP3A4NFKB1
SCHEMBL9243663 0.65 FDPS (0.41) FDPSPDE3ALMNAADRB3PDE4D
Putrescine SCHEMBL2541172 0.65 LMNA (0.61) FDPSPDE3ALMNABLMCYP3A4
SCHEMBL3411395 0.64 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL343017 0.64 FDPS (0.61) FDPSLMNABLMCYP3A4NFKB1
SCHEMBL9736141 0.64 LAP3 (0.65) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL16005652 0.63 GSR (0.39) FDPSPDE3ALMNABLMNFKB1

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-6057306-A ADMINISTERING BISPHOSPHONATES TO TREAT BONE DISEASE NOVARTIS CORPORATION (US) 2000-05-02 US claimed