SCHEMBL234387

SCHEMBL234387

Cc1cn([C@@H]2O[C@H](COO)[C@@H](O)[C@H]2O)c(=O)nc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MTOR P42345 2/20 0.46
THRB P10828 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
DNMT1 P26358 1/20 0.46
THPO P40225 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
PMP22 Q01453 1/20 0.46
P2RY6 Q15077 1/20 0.44
PRMT5 O14744 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21998920 0.91 ADK (0.52) LMNAMTORTHRBMDM2NCOA1
SCHEMBL1684799 0.91 ADK (0.52) LMNAMTORTHRBMDM2NCOA1
SCHEMBL24798428 0.88 LMNA (0.45) LMNAMTORTHRBMDM2NCOA1
SCHEMBL17748441 0.88 ADORA3 (0.53) LMNAMTORTHRBMDM2NCOA1
SCHEMBL16629487 0.88 LMNA (0.50) LMNAMTORTHRBMDM2NCOA1
SCHEMBL21275623 0.88 LMNA (0.50) LMNAMTORTHRBMDM2NCOA1
SCHEMBL1065626 0.87 LMNA (0.44) LMNAMTORTHRBMDM2NCOA1
SCHEMBL5697581 0.86 LMNA (0.62) LMNAMTORTHRBMDM2NCOA1
SCHEMBL5953706 0.86 LMNA (0.62) LMNAMTORTHRBMDM2NCOA1
SCHEMBL6297856 0.86 LMNA (0.62) LMNAMTORTHRBMDM2NCOA1

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
US-8206935-B2 Method of rapidly quantifying hydroxymethylated DNA LI WEIWEI (US) 2012-06-26 US disclosed
US-20120107808-A1 High throughput detection of gene-specific hydroxymethylation LI WEIWEI (US) 2012-05-03 US disclosed
US-20120003663-A1 Method of rapidly quantifying hydroxymethylated DNA LI WEIWEI (US) 2012-01-05 US disclosed