Docusate

Docusate

SCHEMBL7262160

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-].[Co+2]

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 SCHEMBL2310067 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL31128363 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL29772 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL4113 0.97 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL23781730 0.96 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL22588821 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977212-B1 Method for producing nanoparticles of transition metals IBM (US) 2003-03-05 EP disclosed