SCHEMBL1005905

SCHEMBL1005905

CC(NC(=O)O)[C@@H](O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.33
TAS1R3 Q7RTX0 5/20 0.32
TAS1R1 Q7RTX1 5/20 0.32
TAS1R2 Q8TE23 5/20 0.32
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 1/20 0.31
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL610150 1.00 POLB (0.35) POLBTP53TAS1R3TAS1R1TAS1R2
SCHEMBL16487141 0.79 TP53 (0.32) POLBTP53CYP2D6CYP2C19
SCHEMBL16487139 0.79 TP53 (0.32) POLBTP53CYP2D6CYP2C19
SCHEMBL17533124 0.76
SCHEMBL12295867 0.76
SCHEMBL4722759 0.76
SCHEMBL28719441 0.76 CYP2D6 (0.41) POLBTP53TAS1R3TAS1R1TAS1R2
SCHEMBL16164274 0.75 TP53 (0.36) TP53TAS1R3TAS1R1TAS1R2CYP2D6
SCHEMBL8222868 0.74 DPP4 (0.37) POLBTAS1R3TAS1R1TAS1R2CYP2D6
SCHEMBL14944967 0.74 CA1 (0.53) CYP2D6

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
EP-2268607-A2 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID Cti Bio (KR) 2011-01-05 EP disclosed