SCHEMBL7770602

SCHEMBL7770602

CC(C)CO/C=C/c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
MTOR P42345 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR2A P28223 3/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RELA Q04206 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
SCHEMBL5670358 1.00 NPC1 (0.45) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL10489672 0.85 LMNA (0.48) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL8383667 0.83 TP53 (0.41) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL4907279 0.83 TP53 (0.41) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL11793042 0.82 TRPA1 (0.42) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL989084 0.82 MEN1 (0.41) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL8057322 0.81 HTR2A (0.42) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL989086 0.79 LMNA (0.50) NPC1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL6111396 0.79 NPC1 (0.40) NPC1MTORTP53CYP3A4CYP2D6
SCHEMBL17836905 0.77 RELA (0.53) NPC1MTORTP53CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284855-B1 E.G., COPOLYMER OF UNDECYLENIC ACID AND DIALKYL MALEATE, OPTIONALLY NEUTRALIZED PPG INDUSTRIES OHIO, INC. 2001-09-04 US disclosed
EP-0865420-B1 UNSATURATED ESTERS AND THEIR USE IN COATING COMPOSITIONS PPG IND OHIO INC (US) 2001-07-11 EP disclosed
US-6090894-A Hydroxy-functional copolymer by reacting epoxy with ≧C8 monocarboxylic acid/dicarboxylic ester copolymer PPG INDUSTRIES OHIO, INC. (US) 2000-07-18 US disclosed
EP-0865420-A1 UNSATURATED ESTERS AND THEIR USE IN COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1998-09-23 EP disclosed
EP-0791024-B1 USE OF A PIGMENT DISPERSING AID FOR PIGMENT DISPERSIONS AND COATING COMPOSITIONS PPG INDUSTRIES INC (US) 1998-08-12 EP disclosed
EP-0856016-A1 UNSATURATED HYDROXY DIESTER COPOLYMERS AND THEIR USE IN COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1998-08-05 EP disclosed
US-5750770-A MONOMER FOR CURABLE COATINGS PPG INDUSTRIES, INC. (US) 1998-05-12 US disclosed
EP-0791024-A1 PIGMENT DISPERSING ADDITIVE FOR COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1997-08-27 EP disclosed
WO-1997013797-A1 UNSATURATED HYDROXY DIESTER COPOLYMERS AND THEIR USE IN COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1997-04-17 WO disclosed
WO-1997013742-A1 UNSATURATED ESTERS AND THEIR USE IN COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1997-04-17 WO disclosed
US-5585427-A COPOLYMER WITH AN ACID VALUE LESS THAN ONE CONTAINING ALTERNATING UNITS OF A VINYL MONOMER AND A DIESTER OF A DICARBOXYLIC ACID WHEREIN AT LEAST ONE OF THE ESTERIFYING GROUPS CONTAINS A POLYETHER GROUP PPG INDUSTRIES, INC. (US) 1996-12-17 US disclosed
WO-1996014347-A1 PIGMENT DISPERSING ADDITIVE FOR COATING COMPOSITIONS PPG INDUSTRIES, INC. (US) 1996-05-17 WO disclosed