Docusate

Docusate

SCHEMBL4113

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

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Docusate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 5/20 0.44
CA1 known ✓ P00915 1/20 0.33
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 6/20 0.44
LMNA P02545 3/20 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

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 1.00 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL9722552 1.00 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL465322 0.99 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL21465350 0.99 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL22588804 0.99 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL23781730 0.99 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL22588821 0.99 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL11580011 0.99 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL1254562 0.99 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL9775367 0.99 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

Appears in 123649 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3836899-B1 CHEMOTHERAPEUTIC PHARMACEUTICAL SUSPENSION FOR ORAL DOSAGE ONCOSOL LTD (GB) 2026-05-27 EP claimed
CN-122082238-A Production process of high-strength electronic-grade glass fiber cloth 2026-05-26 CN claimed
CN-117623381-B Vanadate composite material with in-situ surface coating modification, and preparation method and application thereof Yangtze Delta Region Institute (Huzhou),University Of Electronic Science And Technology Of CHINA (CN) 2026-05-26 CN claimed
CN-121891944-B Preparation method and application of sulfonated polyaniline doped nanofiltration membrane NINGBO RIXIN HENGLI TECHNOLOGY Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-122094940-A Ionizable lipids and uses thereof 2026-05-26 CN claimed
CN-122080327-A Copolymerization type polycarboxylate superplasticizer, preparation method thereof and concrete 2026-05-26 CN claimed
CN-120590775-B Ultralow-temperature-resistant PAEK composite material and preparation method thereof Jiangsu Junhua Special Polymer Materials Co.,Ltd. (CN) 2026-05-26 CN claimed
US-12636238-B2 Hypochlorous acid-based eyelid cleansers OCUSOFT, INC. (US) 2026-05-26 US claimed
CN-119752381-B Bi-component sealant and preparation method and application thereof CYBRID TECHNOLOGIES INC. (CN) 2026-05-26 CN claimed
CN-117169187-B Preparation method of surface-enhanced Raman spectrum substrate for detecting residual of polysulfonamides 江西农业大学 2026-05-22 CN claimed
US-3985871-A ANTIPLASMIN INHIBITION; VEGETABLE AND ANIMAL FATS, ALIPHATIC ACIDS CRINOS INDUSTRIA FARMACOBIOLOGICA S.P.A. (IT) 1976-10-12 US claimed
US-3975294-A POLYETHYLENE GLYCOL, MONOETHER; SODIUM DIALKYLSULFOSUCCINATE; OLEIC, LINOLEIC, LINOLENIC OR RICINOLEIC ACID; TRIETHANOLAMINE OR N-HYDROXYETHYLMORPHOLINE RHONE-POULENC S.A. (FR) 1976-08-17 US claimed
US-3971744-A PLASTICIZERS, HYDROPHILIC FILLERS CESKOSLOVENSKA AKADEMIE VED (CS) 1976-07-27 US claimed
US-3963439-A Multielectrode apparatus and techniques to prepare aligned asbestos fibers on a thin substrate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-06-15 US claimed
US-3960755-A Detecting compositions and method of using same AMERICAN CYANAMID COMPANY (US) 1976-06-01 US claimed
US-3944511-A Chemically modified polymers OWENS-ILLINOIS, INC. (US) 1976-03-16 US claimed
US-3942512-A Pharyngeal and nasopharyngeal treatment HARGETT EDGAR R 1976-03-09 US claimed
US-3933630-A ACIDIFICATION, ALCOHOL EXTRACTION RHONE-PROGIL (FR) 1976-01-20 US claimed
US-3934007-A DIOCTYL SODIUM SULFOSUCCINATE AND ACTIVATE CARBON, OXY-STARCH OR OXYCELLULOSE AMERICAN CYANAMID COMPANY (US) 1976-01-20 US claimed
US-3931381-A Mold release method for polyurethane integral-skin foam THE GENERAL TIRE & RUBBER COMPANY (US) 1976-01-06 US claimed