SCHEMBL7562750

SCHEMBL7562750

CC(CC=O)c1ccccc1.CCOC(C)OCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
AOC3 Q16853 2/20 0.37
TRPA1 O75762 4/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
RIPK1 Q13546 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL2838538 0.86 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1
SCHEMBL14191123 0.86 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1
SCHEMBL1256 0.86 TAAR1 (0.52) TAAR1AOC3TRPA1RIPK1
Ethylene SCHEMBL9347773 0.80 LMNA (0.34) LMNAL3MBTL1ALDH1A1MAPTPOLB
SCHEMBL10415944 0.79 LMNA (0.43) TAAR1LMNAL3MBTL1ALDH1A1MAPT
Phenylacetaldehyde SCHEMBL452558 0.77 LMNA (0.44) TAAR1LMNAL3MBTL1HTT
SCHEMBL4991720 0.77 L3MBTL1 (0.41) LMNAL3MBTL1ALDH1A1MAPTPOLB
Benzaldehyde SCHEMBL367504 0.75 ALDH1A1 (0.54) LMNAL3MBTL1ALDH1A1
SCHEMBL2312796 0.75 GRIA4 (0.50) TAAR1
Phenylacetaldehyde SCHEMBL1412189 0.75 LMNA (0.41) TAAR1LMNAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020146633-A1 FLUORINATED AROMATIC ACETAL POLYMERS AND PHOTOSENSITIVE COMPOSITIONS CONTAINING SUCH POLYMERS KODAK POLYCHROME GRAPHICS L.L.C. 2002-10-10 US disclosed
US-6458503-B1 BLEND WITH DIAZO RESIN; LITHOGRAPHIC PRINTING PLATES; PHOTOPOLYMERIZATION AND CROSSLINKING KODAK POLYCHROME GRAPHICS LLC 2002-10-01 US disclosed
WO-2002073315-A1 FLUORINATED AROMATIC ACETAL POLYMERS AND PHOTOSENSITIVE COMPOSITIONS CONTAINING SUCH POLYMERS KODAK POLYCHROME GRAPHICS COMPANY, LTD. (US) 2002-09-19 WO disclosed