SCHEMBL7598540

SCHEMBL7598540

COC(=O)c1ccc(/C=C/c2cn([C@H]3C[C@H](O)[C@@H](C(O)C(c4ccccc4)(c4ccccc4OC)c4ccccc4OC)O3)c(=O)[nH]c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RY2 P41231 1/20 0.36
TYMS P04818 1/20 0.35
RNASE1 P07998 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NT5C Q8TCD5 1/20 0.34
NT5M Q9NPB1 1/20 0.34

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
SCHEMBL7598543 0.90 TK1 (0.39) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7602616 0.88 TK1 (0.42) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL8918388 0.87 TK1 (0.36) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7602773 0.87 TYMS (0.37) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL8892071 0.86 TK1 (0.40) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL14761760 0.85 TK1 (0.40) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7598501 0.84 TK1 (0.41) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7602019 0.83 TYMS (0.39) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7598507 0.83 TK1 (0.39) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL1687292 0.82 TK1 (0.51) TK1RNASE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135587-B2 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE INC (US) 2002-12-18 EP disclosed
US-5668266-A Synthesis of single-stranded labelled oligonucleotides of preselected sequence SYNGENE, INC. (US) 1997-09-16 US disclosed
US-5541313-A Single-stranded labelled oligonucleotides of preselected sequence MOLECULAR BIOSYSTEMS, INC. (US) 1996-07-30 US disclosed
US-4948882-A Single-stranded labelled oligonucleotides, reactive monomers and methods of synthesis SYNGENE, INC. (US) 1990-08-14 US disclosed
EP-0135587-B1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE, INC. (US) 1990-05-02 EP disclosed
EP-0135587-A4 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1986-04-02 EP disclosed
EP-0135587-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1985-04-03 EP disclosed
WO-1984003285-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS MOLECULAR BIOSYSTEMS INC (US) 1984-08-30 WO disclosed