SCHEMBL338768

SCHEMBL338768

Cc1cc(C)c(C(=O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C[C@@H]2O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
P2RY2 P41231 3/20 0.47
P2RY4 P51582 3/20 0.47
P2RY6 Q15077 2/20 0.47
LMNA P02545 3/20 0.43
PDE3A Q14432 3/20 0.43
CACNA1F O60840 2/20 0.43
ALB P02768 2/20 0.43
MAPT P10636 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43
POLG P54098 1/20 0.41
ADRB1 P08588 1/20 0.41
DNMT1 P26358 1/20 0.41
THRB P10828 1/20 0.40
MTOR P42345 1/20 0.40
MDM2 Q00987 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 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
SCHEMBL338371 0.84 POLB (0.61) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL12222460 0.84 POLB (0.61) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL8627864 0.84 POLB (0.63) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL4939418 0.84 POLB (0.60) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL17182202 0.83 POLB (0.64) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL338182 0.83 LMNA (0.59) P2RY2LMNATHRBMTORMDM2
SCHEMBL5709961 0.83 POLB (0.59) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL7012047 0.83 POLB (0.55) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL1763156 0.82 POLB (0.61) POLBP2RY2P2RY4P2RY6LMNA
SCHEMBL13169192 0.82 POLB (0.58) POLBP2RY2P2RY4P2RY6LMNA

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-8097711-B2 nucleoside monomers protected with thioether substituted aryl carbonate protecting groups; oligonucleotides, using such protected nucleoside monomer monomers, as well as nucleic acids AGILENT TECHNOLOGIES, INC. (US) 2012-01-17 US disclosed