SCHEMBL7933222

SCHEMBL7933222

CC(C)C(=O)OCC(C)(C)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL11366605 0.82 CYP2C9 (0.40) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL11216426 0.82 ALDH1A1 (0.37) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL11633361 0.80 PRSS1 (0.36) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL15113241 0.79 CYP1A2 (0.35) CYP1A2
SCHEMBL12413765 0.78 ALDH1A1 (0.35) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL882160 0.78 ALDH1A1 (0.40) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL7934757 0.78 ALDH1A1 (0.40) ALDH1A1POLBMAPTHTTGRIN2D
SCHEMBL24433177 0.78 CYP1A2 (0.34) CYP1A2
SCHEMBL22340365 0.78 CYP1A2 (0.37) ALDH1A1POLBMAPTCYP1A2
SCHEMBL12060290 0.77 MAPK1 (0.39) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989895-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-04-05 EP claimed
WO-1998057721-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-12-23 WO claimed
US-6242388-B1 OIL AND GAS WELLS WITH COUPLING SOLVENTS AND SURFACTANTS EASTMAN CHEMICAL COMPANY 2001-06-05 US disclosed
EP-0989895-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-04-05 EP disclosed
WO-1998057721-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-12-23 WO disclosed