SCHEMBL6671847

SCHEMBL6671847

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TTR P02766 1/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2A Q12879 4/20 0.34
GRIN2D O15399 3/20 0.34
GRIN2C Q14957 3/20 0.34
GRIN2B Q13224 2/20 0.34
HIF1A Q16665 2/20 0.33
ACSS2 Q9NR19 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6129866 0.85 KIF11 (0.50) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3887213 0.78 CYP2C19 (0.40) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL27906586 0.78 CYP2C19 (0.46) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL29628939 0.75 TSHR (0.41) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL17537125 0.75 CYP2C19 (0.39) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL4077896 0.75 CYP2C19 (0.38) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL8979343 0.73 ALDH1A1 (0.44) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL11022533 0.72 CYP1A2 (0.48) CYP2C19CYP1A2CYP2C9KDM4ELMNA
SCHEMBL9464129 0.71 CYP1A2 (0.47) CYP2C19CYP1A2CYP2C9KDM4ECYP2D6
SCHEMBL6657426 0.71 CYP2C19 (0.34) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1

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