Docusate

Docusate

SCHEMBL2310067

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Al+3]

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.78
CYP3A4 P08684 5/20 0.56
TSHR P16473 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 7/20 0.44
CA2 P00918 4/20 0.44
LMNA P02545 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
CA1 P00915 1/20 0.33

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
Docusate SCHEMBL3041223 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL61043 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL13727352 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL9722552 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL4113 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL31128363 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL29772 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL7262160 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL23781730 0.96 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL22588804 0.96 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350213-B1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT PACKARD DEVELOPMENT CO (US) 2016-06-29 EP claimed
US-8029963-B2 Method for charging toner particles HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-10-04 US claimed
EP-2350213-A1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM Hewlett-Packard Development Company, L.P. (US) 2011-08-03 EP claimed
WO-2010053480-A1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2010-05-14 WO claimed
EP-1896905-B1 LIQUID DEVELOPER AND A METHOD OF CHARGING TONER PARTICLES IN LQIUID DEVELOPERS HEWLETT PACKARD DEVELOPMENT CO (US) 2009-11-25 EP claimed
US-20090220884-A1 Method for charging toner particles HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2009-09-03 US claimed
EP-1896905-A1 A METHOD OF CHARGING TONER PARTICLES Hewlett-Packard Development Company, L.P. (US) 2008-03-12 EP claimed
WO-2006131905-A1 A METHOD OF CHARGING TONER PARTICLES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-12-14 WO claimed
EP-2350213-B1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT PACKARD DEVELOPMENT CO (US) 2016-06-29 EP disclosed
US-8440381-B2 Liquid electrophotographic ink with a charge director system HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-05-14 US disclosed
US-20110217650-A1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT-PARKARD DEVELOPMENT COMPANY, L.P. (US) 2011-09-08 US disclosed
EP-2350213-A1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM Hewlett-Packard Development Company, L.P. (US) 2011-08-03 EP disclosed
WO-2010053480-A1 LIQUID ELECTROPHOTOGRAPHIC INK WITH A CHARGE DIRECTOR SYSTEM HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2010-05-14 WO disclosed
EP-1896905-B1 LIQUID DEVELOPER AND A METHOD OF CHARGING TONER PARTICLES IN LQIUID DEVELOPERS HEWLETT PACKARD DEVELOPMENT CO (US) 2009-11-25 EP disclosed
US-20090220884-A1 Method for charging toner particles HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2009-09-03 US disclosed
EP-1896905-A1 A METHOD OF CHARGING TONER PARTICLES Hewlett-Packard Development Company, L.P. (US) 2008-03-12 EP disclosed
WO-2006131905-A1 A METHOD OF CHARGING TONER PARTICLES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-12-14 WO disclosed
US-4177039-A METAL SALT OF A DIALKYL SUFOSUCCINATE AND A LOWER ALIPHATIC ALCOHOL LION YUSHI KABUSHIKI KAISHA (JP) 1979-12-04 US disclosed