SCHEMBL9613609

SCHEMBL9613609

CC(C)(C)c1cc(CCC(=O)OCC(CO)(COC=O)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41
HIF1A Q16665 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
GMNN O75496 1/20 0.40
GABBR2 O75899 1/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL172023 0.94 GAA (0.49) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL10036413 0.94 GAA (0.49) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13181670 0.92 GAA (0.40) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL5505723 0.91 GAA (0.54) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13671622 0.91 GAA (0.39) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13992920 0.90 GAA (0.50) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL4916013 0.89 GAA (0.54) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL1316059 0.89 GAA (0.54) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL20662719 0.88 GAA (0.44) GAAKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL30784710 0.88 GAA (0.50) GAAKMT2AMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208774-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
EP-2229427-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2012-07-18 EP disclosed
WO-2012079710-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-06-21 WO disclosed
WO-2012076105-A1 LIQUID CRYSTAL MEDIUM AND ELECTROOPTIC DISPLAY MERCK PATENT GMBH (DE) 2012-06-14 WO disclosed
EP-2457975-A2 Liquid-crystalline mixtures Merck Patent GmbH (DE) 2012-05-30 EP disclosed
WO-2012007107-A1 LIQUID CRYSTALLINE MEDIA AND LIQUID CRYSTAL DISPLAYS WITH A POLYMER-STABILIZED HOMEOTROPIC ORIENTATION MERCK PATENT GMBH (DE) 2012-01-19 WO disclosed
WO-2011107213-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-09-09 WO disclosed
US-7989035-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2011-08-02 US disclosed
WO-2011076329-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2011-06-30 WO disclosed
WO-2011029510-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2011-03-17 WO disclosed
EP-2248872-A2 Liquid crystalline medium Merck Patent GmbH (DE) 2010-11-10 EP disclosed
EP-1763570-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-09-08 EP disclosed
US-7732021-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US disclosed
EP-2189511-A2 Liquid crystalline medium Merck Patent GmbH (DE) 2010-05-26 EP disclosed
US-20080308768-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
US-7442419-B2 Comprising one or more dielectrically positive compounds having a dielectric anisotropy of more than 3; twisted Nematic (TN) or Plane Switching (IPS) type; low rotational viscosity; polycyclo cyclohexyl fluorocarbon benzyl ether derivatives, electrooptics MERCK PATENT GMBH (DE) 2008-10-28 US disclosed
EP-1403356-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2008-09-17 EP disclosed
EP-1911827-A2 Liquid crystalline medium MERCK PATENT GmbH (DE) 2008-04-16 EP disclosed
EP-1908813-A1 Liquid crystalline medium Merck Patent GmbH (DE) 2008-04-09 EP disclosed
EP-1876215-A2 Liquid crystalline medium Merck Patent GmbH (DE) 2008-01-09 EP disclosed