SCHEMBL6865666

SCHEMBL6865666

CCC=COC(=O)CC(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
MGAM O43451 1/20 0.60
SI P14410 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS2 P35354 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 2/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRPA1 O75762 1/20 0.40
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL6865664 1.00 GAA (0.60) GAAMGAMSIMGAM2NR1I2
SCHEMBL3455391 0.84 NR1I2 (0.56) GAAMGAMSIMGAM2NR1I2
SCHEMBL3455390 0.84 NR1I2 (0.56) GAAMGAMSIMGAM2NR1I2
Malonic Acid Diethyl Ester SCHEMBL28004191 0.79 GAA (0.65) GAAMGAMSIMGAM2NR1I2
SCHEMBL5884994 0.78 ALDH1A1 (0.41) GAAMGAMSIMGAM2NR1I2
Malonic Acid Diethyl Ester SCHEMBL7947003 0.78 GAA (0.62) GAAMGAMSIMGAM2NR1I2
Malonic Acid Diethyl Ester SCHEMBL1864301 0.78 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1330550 0.78 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.78 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331187 0.78 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6810217-B2 Process cartridge CANON KABUSHIKI KAISHA (JP) 2004-10-26 US disclosed
US-20030016955-A1 Process cartridge CANON KABUSHIKI KAISHA (JP) 2003-01-23 US disclosed
EP-0889368-B1 Positive-chargeable toner, image forming method and apparatus unit CANON KK (JP) 2002-11-27 EP disclosed
US-6020102-A CONTAINING BISIMIDAZOLE CHARGE CONTROL AGENT CANON KABUSHIKI KAISHA (JP) 2000-02-01 US disclosed
US-6002895-A ELECTROSTATIC IMAGE BEARING MEMBER AND DEVELOPERS CANON KABUSHIKI KAISHA (JP) 1999-12-14 US disclosed
EP-0686882-B1 Toner for developing electrostatic images, process cartridge, and image forming method CANON KK (JP) 1999-08-11 EP disclosed
EP-0889368-A1 Positive-chargeable toner, image forming method and apparatus unit CANON KABUSHIKI KAISHA (JP) 1999-01-07 EP disclosed
US-5736288-A TONER COMPRISING SPECIFIED CHARGE CONTROL AGENT, POLYMER HAVING LOW NAD HIGH MOLECULAR WEIGHT COMPONENTS WITH SPECIFIED ACID VALUES CANON KABUSHIKI KAISHA (JP) 1998-04-07 US disclosed
EP-0686882-A1 Toner for developing electrostatic images, process cartridge, and image forming method CANON KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed