SCHEMBL6671853

SCHEMBL6671853

OCC(O)C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
TK1 P04183 2/20 0.36
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.32
DUT P33316 1/20 0.31
PRKCA P17252 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN1 Q05586 4/20 0.30
GRIN2A Q12879 4/20 0.30
GRIN2D O15399 3/20 0.30
GRIN2C Q14957 3/20 0.30
GRIN2B Q13224 2/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL5505629 0.87 TDP1 (0.36) KIF11TK1CYP2C9CYP2C19ALOX15
SCHEMBL21351764 0.80 KIF11 (0.37) KIF11TK1CYP2C9CYP2C19ALOX15
SCHEMBL27739758 0.74 KIF11 (0.41) KIF11CYP2C9CYP2C19ALOX15TSHR
SCHEMBL465453 0.74 CYP2C19 (0.39) KIF11CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL8587208 0.72 TK1 (0.44) KIF11TK1CYP2C9CYP2C19ALOX15
SCHEMBL10438660 0.72 TK1 (0.44) KIF11TK1CYP2C9CYP2C19ALOX15
SCHEMBL8979349 0.71 CYP2C19 (0.35) KIF11CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL16551069 0.71 LMNA (0.42) KIF11CYP2C19ALOX15TSHRALDH1A1
SCHEMBL3529956 0.71 TRPA1 (0.38) KIF11CYP2C19ALOX15ALDH1A1CYP1A2
SCHEMBL3529955 0.71 TRPA1 (0.38) KIF11CYP2C19ALOX15ALDH1A1CYP1A2

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