SCHEMBL5488005

SCHEMBL5488005

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1COC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.35
ST6GAL1 P15907 3/20 0.33
RNASE1 P07998 1/20 0.33
CACNA1F O60840 2/20 0.33
LMNA P02545 2/20 0.33
ALB P02768 2/20 0.33
MAPT P10636 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
PDE3A Q14432 2/20 0.33
POLG P54098 2/20 0.32
HTT P42858 1/20 0.32
P2RY2 P41231 1/20 0.32
P2RY4 P51582 1/20 0.32
P2RY6 Q15077 1/20 0.32
PPM1B O75688 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
SCHEMBL8517853 0.88 LMNA (0.40) POLBCACNA1FLMNAALBMAPT
SCHEMBL17749433 0.85 ST6GAL1 (0.42) ALDH1A1ST6GAL1LMNAHTT
SCHEMBL15301518 0.84 TYMP (0.35) POLB
SCHEMBL16131335 0.84 TYMP (0.35) POLB
SCHEMBL21620269 0.83 POLB (0.50) POLBP2RY6
SCHEMBL9913496 0.82 POLB (0.54) POLBRNASE1P2RY2P2RY4P2RY6
SCHEMBL2365610 0.82 POLG (0.38) POLBCACNA1FLMNAALBMAPT
SCHEMBL8658428 0.81 POLB (0.49) POLBP2RY2P2RY4P2RY6
SCHEMBL2056493 0.80
SCHEMBL5396749 0.80 POLB (0.31) POLBST6GAL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496943-A4 OLIGOMERIC COMPOUNDS HAVING MODIFIED PHOSPHATE GROUPS ISIS PHARMACEUTICALS INC (US) 2007-05-23 EP disclosed
EP-1496943-A2 OLIGOMERIC COMPOUNDS HAVING MODIFIED PHOSPHATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 2005-01-19 EP disclosed
WO-2003087115-A2 OLIGOMERIC COMPOUNDS HAVING MODIFIED PHOSPHATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed