SCHEMBL13045477

SCHEMBL13045477

CC(=O)c1ccc(C(C)=O)c2c(C(C)=O)ccc(C(C)=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 4/20 0.45
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B1 P14061 1/20 0.39
KMT2A Q03164 2/20 0.38
PBRM1 Q86U86 1/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL17637937 0.89 CYP1A2 (0.74) CYP1A2HPGDALDH1A1MAPTGAA
SCHEMBL13045478 0.89 ALDH1A1 (0.45) CYP1A2HPGDALDH1A1MAPTGAA
SCHEMBL17637936 0.89 CYP1A2 (0.74) CYP1A2HPGDALDH1A1MAPTGAA
SCHEMBL14040350 0.87 ALDH1A1 (0.44) CYP1A2HPGDALDH1A1MAPTGAA
SCHEMBL12363022 0.83 ALDH1A1 (0.78) CYP1A2HPGDALDH1A1MAPTGAA
SCHEMBL18561963 0.83 ALDH1A1 (0.41) CYP1A2HPGDALDH1A1MAPTGAA
SCHEMBL14290228 0.81 CYP1A2 (0.61) CYP1A2HPGDALDH1A1MAPTGAA
SCHEMBL14040224 0.79 MAPT (0.39) CYP1A2HPGDALDH1A1MAPTGAA
SCHEMBL1665864 0.78 THRB (0.48) CYP1A2HPGDALDH1A1MAPTGAA
SCHEMBL13069937 0.78 TYMS (0.51) CYP1A2HPGDALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833343-B2 Easily dispersible pigment preparations comprising at least one pigment and an additive based on polyalkylene glycols; use for coloring of natural and synthetic materials; in particular paints, coating systems, emulsion colors and varnish colors CLARIANT FINANCE (BVI) LIMITED (VG) 2010-11-16 US disclosed
US-7833343-B2 Easily dispersible pigment preparations comprising at least one pigment and an additive based on polyalkylene glycols; use for coloring of natural and synthetic materials; in particular paints, coating systems, emulsion colors and varnish colors CLARIANT FINANCE (BVI) LIMITED (VG) 2010-11-16 US disclosed
US-20100068642-A1 Universal Stir-In Pigments CLARIANT FINANCE (BVI) LIMITED (VG) 2010-03-18 US disclosed
US-20100068642-A1 Universal Stir-In Pigments CLARIANT FINANCE (BVI) LIMITED (VG) 2010-03-18 US disclosed
WO-2008055566-A2 UNIVERSAL STIR-IN PIGMENTS CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-15 WO disclosed
US-20080107986-A1 Charge controlling agent for electrophotographic toners, electrophotographic developers, powder coatings, electret materials, electronic inks, electronic papers and in electrostatic separation operations comprising a hydrophobic salt-like structured silicate MICHEL EDUARD 2008-05-08 US disclosed
US-7309558-B1 Use of salt-like structured silicas as charge control agents CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-12-18 US disclosed