SCHEMBL6008016

SCHEMBL6008016

Cc1cc(C(C)(C)C)c(C=O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CA2 P00918 2/20 0.50
POLB P06746 1/20 0.50
TYR P14679 1/20 0.50
HSPA5 P11021 1/20 0.41
HIF1A Q16665 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
ERN1 O75460 1/20 0.38
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
CYP1A2 P05177 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 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
SCHEMBL28456767 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL4589719 0.84 HSPA5 (0.55) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL31588520 0.81 PTGDR2 (0.36) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL10021816 0.81 GABRA1 (0.37) ALDH1A1SMN1; SMN2CA2POLBHIF1A
SCHEMBL1252920 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL20534138 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL17627802 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSPA5HIF1ACYP2C9
SCHEMBL5070575 0.76 CYP2C9 (0.47) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7029847 0.76 CA1 (0.55) ALDH1A1CA2TYRERN1CYP3A4
SCHEMBL11440332 0.76 CYP1A2 (0.32) ALDH1A1SMN1; SMN2CA2POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714339-B2 Rubber composition comprising an epoxy resin and a polyimine hardener COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-07-25 US disclosed
US-9663633-B2 Composition based on natural rubber and on a polyaldimine compound COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-05-30 US disclosed
US-20150183983-A1 RUBBER COMPOSITION COMPRISING AN EPOXY RESIN AND A POLYIMINE HARDENER MICHELIN RECHERCHE ET TECHNIQUE, S.A. (CH) 2015-07-02 US disclosed
WO-2014016344-A1 RUBBER COMPOSITION COMPRISING A LIGNIN-BASED RESIN COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2014-01-30 WO disclosed
WO-2013117458-A1 COMPOSITION BASED ON NATURAL RUBBER AND ON A POLYALDIMINE COMPOUND COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2013-08-15 WO disclosed
EP-1974944-B1 Thermal transfer ink sheet, ink cartridge, coating composition for dye layer of thermal transfer ink sheet, and thermal transfer recording method FUJIFILM CORP (JP) 2009-12-02 EP disclosed
EP-1974944-A1 Thermal transfer ink sheet, ink cartridge, coating composition for dye layer of thermal transfer ink sheet, and thermal transfer recording method FUJIFILM Corporation (JP) 2008-10-01 EP disclosed
US-7077638-B2 Selective deposition modeling method and apparatus for forming three-dimensional objects and supports 3D SYSTEMS, INC. (US) 2006-07-18 US disclosed
EP-1262305-B1 Selective deposition modeling for forming three-dimensional objects 3D SYSTEMS INC (US) 2006-06-07 EP disclosed
EP-1270184-B1 Selective deposition modeling for forming three-dimensional objects 3D SYSTEMS INC (US) 2005-07-06 EP disclosed
US-6660209-B2 Selective deposition modeling method and apparatus for forming three-dimensional objects and supports 3D SYSTEMS, INC. 2003-12-09 US disclosed
EP-1262305-A2 Selective deposition modeling for forming three-dimensional objects 3D SYSTEMS, INC. (US) 2002-12-04 EP disclosed
EP-0852536-B1 SELECTIVE DEPOSITION MODELING METHOD AND APPARATUS FOR FORMING THREE-DIMENSIONAL OBJECTS AND SUPPORTS 3D SYSTEMS INC (US) 2002-09-04 EP disclosed
US-6270335-B2 Selective deposition modeling method and apparatus for forming three-dimensional objects and supports 3D SYSTEMS, INC. 2001-08-07 US disclosed
EP-0852536-A1 SELECTIVE DEPOSITION MODELING METHOD AND APPARATUS FOR FORMING THREE-DIMENSIONAL OBJECTS AND SUPPORTS 3D SYSTEMS, INC. (US) 1998-07-15 EP disclosed
WO-1997011837-A1 SELECTIVE DEPOSITION MODELING METHOD AND APPARATUS FOR FORMING THREE-DIMENSIONAL OBJECTS AND SUPPORTS 3D SYSTEMS, INC. (US) 1997-04-03 WO disclosed