SCHEMBL6671844

SCHEMBL6671844

OCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.43
DUT P33316 2/20 0.39
TK1 P04183 2/20 0.36
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CTSK P43235 3/20 0.33
HRH4 Q9H3N8 1/20 0.32
HIF1A Q16665 1/20 0.32
ELANE P08246 1/20 0.32
PLA2G2A P14555 2/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G5 P39877 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SLC6A1 P30531 1/20 0.31

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
SCHEMBL27739758 0.87 KIF11 (0.41) KIF11DUTCYP2C19CYP2C9ALOX15
SCHEMBL9693942 0.84 CYP2C9 (0.45) KIF11DUTTK1CYP2C19CYP2C9
SCHEMBL23037535 0.84 CYP2C9 (0.45) KIF11DUTTK1CYP2C19CYP2C9
SCHEMBL15892819 0.80 KIF11 (0.39) KIF11DUTTK1CYP2C19CYP2C9
SCHEMBL841606 0.79 DUT (0.48) KIF11DUTTK1CYP2C19CYP2C9
SCHEMBL465454 0.78 TK1 (0.46) KIF11DUTTK1CYP2C19CYP2C9
SCHEMBL6522822 0.78 TK1 (0.46) KIF11DUTTK1CYP2C19CYP2C9
SCHEMBL18609340 0.77 PLA2G2A (0.49) KIF11PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL2178034 0.76 KIF11 (0.44) KIF11DUTTK1CYP2C19ALOX15
SCHEMBL4525211 0.76 KIF11 (0.44) KIF11DUTTK1CYP2C19ALOX15

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-0775149-B1 NOVEL PROTECTING GROUPS AND USE THEREOF IN AN IMPROVED PROCESS FOR OLIGONUCLEOTIDE SYNTHESIS UNIV COLORADO (US) 2004-09-22 EP disclosed
US-6008400-A MIXING TRIMETHYLORTHOFORMATE AND AN ALCOHOL IN A SOLVENT TO PRODUCE A REACTION MIXTURE AND REMOVING THE SOLVENT TO YIELD ORTHOESTER REAGENT REGENTS OF THE UNIVERSITY OF COLORADO, THE 1999-12-28 US disclosed
US-5889136-A PHOSPHORAMIDITE OLIGONUCLEOTIDE BIOSYNTHESIS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 1999-03-30 US disclosed