SCHEMBL4023606

SCHEMBL4023606

CSS[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 1.00
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.61
ALB P02768 1/20 0.61
PKM P14618 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
CYP2D6 P10635 1/20 0.61

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
SCHEMBL4023601 1.00 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL4023603 1.00 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL11959639 0.94 TK1 (0.89) TK1LMNATSHRALBPKM
SCHEMBL11959617 0.91 TK1 (0.83) TK1LMNATSHRALBPKM
SCHEMBL13464002 0.88 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL3618060 0.88 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL3616937 0.88 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL3618062 0.88 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL3616931 0.88 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL13464001 0.88 TK1 (1.00) TK1LMNATSHRALBPKM

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
EP-1879906-A4 REVERSIBLE NUCLEOTIDE TERMINATORS AND USES THEREOF ADVANCED GENETIC ANALYSIS CORP (US) 2009-07-22 EP disclosed
EP-1879906-A2 REVERSIBLE NUCLEOTIDE TERMINATORS AND USES THEREOF AB Advanced Genetic Analysis Corporation (US) 2008-01-23 EP disclosed
WO-2006074351-A2 REVERSIBLE NUCLEOTIDE TERMINATORS AND USES THEREOF AGENCOURT PERSONAL GENOMICS (US) 2006-07-13 WO disclosed