SCHEMBL13615532

SCHEMBL13615532

CO[C@H]1[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@](CO)(C(C)C)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALB P02768 1/20 0.45
POLB P06746 1/20 0.45
ADRA1A P35348 1/20 0.45
BLM P54132 1/20 0.45
TK1 P04183 4/20 0.44
TK2 O00142 2/20 0.41
TYMP P19971 4/20 0.40

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
SCHEMBL13616344 0.81 SLC28A1 (0.46)
SCHEMBL10159604 0.80 ALDH1A1 (0.48) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL16473393 0.80 TK1 (0.43) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL13615609 0.79 TK1 (0.36) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL16473410 0.76 TK1 (0.38) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL16473373 0.76 TK1 (0.38) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL16473421 0.76 LMNA (0.44) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL16473381 0.76 LMNA (0.44) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL16473416 0.74 TK1 (0.43) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL16473402 0.73 TK1 (0.37) ALDH1A1LMNAALBPOLBADRA1A

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
WO-2009143369-A2 METHOD OF PREPARING NUCLEOSIDES AND ANALOGS THEREOF WITHOUT USING CHROMATOGRAPHY ISIS PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed