SCHEMBL6560936

SCHEMBL6560936

CCCCC(CC)COC(COC(=O)c1ccccc1C(=O)OCC(OCC(CC)CCCC)OCC(CC)CCCC)OCC(CC)CCCC

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.82
CYP3A4 P08684 5/20 0.82
CA2 P00918 1/20 0.82
PRSS1 P07477 1/20 0.73
PRSS2 P07478 1/20 0.73
PRSS3 P35030 1/20 0.73
LMNA P02545 4/20 0.70
TSHR P16473 9/20 0.61
MAPK1 P28482 4/20 0.61
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.46

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
Bis(2-Ethylhexyl) Phthalate SCHEMBL29351619 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl)Phthalate SCHEMBL29411299 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl)Phthalate SCHEMBL21733281 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL2864306 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL20271 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL4602015 0.89 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL14892433 0.89 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL22190333 0.89 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL9017840 0.89 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL8397045 0.89 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2PRSS1PRSS2

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
EP-1069482-B1 Conductive roller, process cartridge and image forming apparatus CANON KK (JP) 2004-05-26 EP disclosed
US-6558781-B1 Conductive roller, process cartridge and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2003-05-06 US disclosed
EP-1069482-A2 Conductive roller, process cartridge and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2001-01-17 EP disclosed