SCHEMBL8918388

SCHEMBL8918388

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cc(/C=C/c3ccc(CNC(=O)C(Cl)(Cl)Cl)cc3)c(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RY2 P41231 1/20 0.34
TYMS P04818 2/20 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
SCHEMBL7602773 0.94 TYMS (0.37) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL8918391 0.91 SNCA (0.37) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7605409 0.88 TK1 (0.37) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7598540 0.87 TK1 (0.38) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7602777 0.85 TYMS (0.38) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL14761760 0.84 TK1 (0.40) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7602616 0.83 TK1 (0.42) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7602019 0.83 TYMS (0.39) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL8892071 0.82 TK1 (0.40) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL7601145 0.82 TYMS (0.38) TK1CYP1A2CYP3A4TSHRBLM

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
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