SCHEMBL16587646

SCHEMBL16587646

CCC[C@]12CCO[C@@H](C1OC)[C@H](n1cc(C)c(=O)[nH]c1=O)O2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
POLB P06746 1/20 0.37
ADRA1A P35348 1/20 0.37
BLM P54132 1/20 0.37
TYMP P19971 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TK2 O00142 2/20 0.35

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
SCHEMBL12590097 0.92 TK1 (0.40) TK1ALDH1A1LMNAALBPOLB
SCHEMBL12015161 0.92 TK1 (0.40) TK1ALDH1A1LMNAALBPOLB
SCHEMBL12087530 0.92 TK1 (0.40) TK1ALDH1A1LMNAALBPOLB
SCHEMBL13515629 0.89 TK1 (0.40) TK1ALDH1A1LMNAALBPOLB
SCHEMBL13513432 0.89 TK1 (0.40) TK1ALDH1A1LMNAALBPOLB
SCHEMBL24263990 0.87 TK1 (0.39) TK1ALDH1A1LMNAALBPOLB
SCHEMBL12646692 0.83 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB
SCHEMBL12590107 0.83 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB
SCHEMBL19840296 0.83 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB
SCHEMBL12015175 0.83 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB

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-8987226-B2 Modified single-stranded polynucleotides DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-24 US disclosed