SCHEMBL4194705

SCHEMBL4194705

CO[C@@H]1[C@H](O)[C@@H](COC2O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H]1n1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 3/20 0.57
PYGM P11217 3/20 0.47
TYMP P19971 4/20 0.47
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

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
SCHEMBL4204364 0.92 TK2 (0.54) TK2PYGMTYMP
SCHEMBL7182936 0.90 TK2 (0.67) TK2PYGMTYMPALDH1A1LMNA
SCHEMBL1021637 0.90 TK2 (0.67) TK2PYGMTYMPALDH1A1LMNA
SCHEMBL20875706 0.90 TK2 (0.67) TK2PYGMTYMPALDH1A1LMNA
SCHEMBL22992480 0.90 TK2 (0.67) TK2PYGMTYMPALDH1A1LMNA
SCHEMBL22992424 0.90 TK2 (0.67) TK2PYGMTYMPALDH1A1LMNA
SCHEMBL62322 0.90 TK2 (0.67) TK2PYGMTYMPALDH1A1LMNA
SCHEMBL62321 0.90 TK2 (0.67) TK2PYGMTYMPALDH1A1LMNA
SCHEMBL4192644 0.90 P2RY6 (0.51) TK2PYGMLMNA
SCHEMBL29509957 0.89 TK2 (0.66) TK2PYGMTYMPALDH1A1LMNA

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
US-7608402-B2 DNA methylation specific signal amplification LI WEIWEI 2009-10-27 US disclosed
US-20090181373-A1 DNA methylation specific signal amplification LI WEIWEI 2009-07-16 US disclosed