SCHEMBL382739

SCHEMBL382739

CCC(=O)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 2/20 0.45
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.42
MTOR P42345 2/20 0.42
THRB P10828 1/20 0.42
MDM2 Q00987 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
DNMT1 P26358 1/20 0.42
THPO P40225 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
HBB P68871 1/20 0.42
PMP22 Q01453 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RY6 Q15077 2/20 0.42

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
SCHEMBL11792440 0.88 LMNA (0.41) HINT1ALDH1A1HTTLMNAMTOR
Hydrochloric Acid SCHEMBL11859227 0.87 L3MBTL1 (0.45) HINT1LMNAL3MBTL1
SCHEMBL17748441 0.86 ADORA3 (0.53) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL21998920 0.85 ADK (0.52) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL234387 0.85 LMNA (0.46) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL1684799 0.85 ADK (0.52) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL5038377 0.85 ALDH1A1 (0.62) HINT1ALDH1A1HTTLMNAMTOR
SCHEMBL5955214 0.84 ADORA3 (0.45) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL24798428 0.84 LMNA (0.45) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL17210993 0.83 P2RY2 (0.50) P2RY6

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
EP-2408306-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS Alios Biopharma, Inc. (US) 2012-01-25 EP disclosed
WO-2010108140-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 WO disclosed