SCHEMBL8918391

SCHEMBL8918391

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cc(C=Cc4ccc(CNC(=O)C(Cl)(Cl)Cl)cc4)c(=O)[nH]c3=O)C[C@@H]2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.37
TK2 O00142 1/20 0.37
TK1 P04183 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RY2 P41231 1/20 0.36
TYMS P04818 2/20 0.36

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
SCHEMBL7602777 0.94 TYMS (0.38) SNCATK2TK1CYP1A2CYP3A4
SCHEMBL8918388 0.91 TK1 (0.36) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7605414 0.88 CYP1A2 (0.38) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL7598543 0.87 TK1 (0.39) SNCATK2TK1CYP1A2CYP3A4
SCHEMBL7602773 0.85 TYMS (0.37) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7602619 0.83 TK1 (0.43) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL5064816 0.82 TYMS (0.40) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL5064819 0.82 TYMS (0.40) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL8892073 0.81 TYMS (0.43) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7601149 0.81 TYMS (0.39) TK2TK1CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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