SCHEMBL2593768

SCHEMBL2593768

O=C(COC1C=CC=CC1(Cl)Cl)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
GSK3B P49841 2/20 0.39
TRPA1 O75762 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
CES1 P23141 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 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
SCHEMBL2142618 0.83 NPC1 (0.39) L3MBTL1TDP1ALDH1A1MAPK1GSK3B
SCHEMBL6400883 0.81 NPC1 (0.39) L3MBTL1TDP1ALDH1A1MAPK1MEN1
SCHEMBL11497084 0.79 NPC1 (0.37) L3MBTL1TDP1ALDH1A1MAPK1MEN1
SCHEMBL4621722 0.69 NPC1 (0.40) L3MBTL1ALDH1A1MAPK1GSK3BTRPA1
SCHEMBL10867266 0.68 MMP9 (0.39) L3MBTL1TDP1ALDH1A1MAPK1GSK3B
SCHEMBL13623506 0.66 ALDH1A1 (0.49) L3MBTL1TDP1ALDH1A1MAPK1GSK3B
SCHEMBL29061883 0.65
SCHEMBL3673842 0.65 ALDH1A1 (0.38) L3MBTL1TDP1ALDH1A1MAPK1GSK3B
SCHEMBL864716 0.64 MAPT (0.61) L3MBTL1TDP1ALDH1A1MAPK1GSK3B
SCHEMBL5799404 0.64 ALDH1A1 (0.47) L3MBTL1TDP1ALDH1A1MAPK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883935-B2 High refractive index composition BATTELLE MEMORIAL INSTITUTE (US) 2014-11-11 US disclosed
EP-2563826-A2 HIGH REFRACTIVE INDEX COMPOSITION Battelle Memorial Institute (US) 2013-03-06 EP disclosed
US-20130046054-A1 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2013-02-21 US disclosed
WO-2011139856-A2 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2011-11-10 WO disclosed