SCHEMBL6536213

SCHEMBL6536213

CC(=O)[C@]1(n2cc(C)c(=O)[nH]c2=O)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.42
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TYMP P19971 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
POLB P06746 1/20 0.39
ADRA1A P35348 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL3694341 0.92 TK1 (0.43) TK1TYMP
SCHEMBL28239487 0.90 TK1 (0.41) TK1ALDH1A1TYMPLMNAALB
SCHEMBL27651863 0.90 TK1 (0.41) TK1TYMP
SCHEMBL11309914 0.88 LMNA (0.47) TK1LMNAADRA1A
SCHEMBL28293851 0.87 TK1 (0.39) TK1ALDH1A1NPSR1TYMP
SCHEMBL17224727 0.86 TK1 (0.39) TK1ALDH1A1NPSR1TYMP
SCHEMBL5148089 0.85 RNASE1 (0.46) TK1TYMP
SCHEMBL8744125 0.85 TK1 (0.38) TK1TYMP
SCHEMBL8744135 0.84 TK1 (0.38) TK1
SCHEMBL5709920 0.84 TK1 (0.40) TK1TYMP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466004-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS Innovate Biotechnology S.R.L. (IT) 2004-10-13 EP disclosed
WO-2003057894-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS INNOVATE BIOTECHNOLOGY S.R.L. (IT) 2003-07-17 WO disclosed
EP-0548189-A1 A METHOD OF LINKING NUCLEOSIDES WITH A SILOXANE BRIDGE. STERLING WINTHROP INC (US) 1993-06-30 EP disclosed
US-5138045-A POLYAMINE CONJUGATED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS (US) 1992-08-11 US disclosed
WO-1992004364-A1 A METHOD OF LINKING NUCLEOSIDES WITH A SILOXANE BRIDGE STERLING WINTHROP INC. (US) 1992-03-19 WO disclosed