Docusate

Docusate

SCHEMBL328829

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

nearest known ligand 0.72

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 14)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.36
RECQL P46063 1/20 0.72
CYP3A4 P08684 4/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 3/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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 SCHEMBL21634386 0.99 RECQL (0.71) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL17840969 0.99 RECQL (0.71) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL21332902 0.93 RECQL (0.83) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL472563 0.92 RECQL (0.81) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL9775367 0.90 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL11585235 0.89 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL3041223 0.89 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL4113 0.89 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL9722552 0.89 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL1357097 0.89 RECQL (0.61) 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 670 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561649-A1 DRUG-COATED MEDICAL DEVICES AND METHODS OF MAKING Bard Peripheral Vascular, Inc. (US) 2025-06-04 EP claimed
CN-119486596-A Solid preparation of insecticidal mixture with excellent dispersion performance 拜耳公司 2025-02-18 CN claimed
CN-118973392-A Water-dispersible granules with low-melting active ingredient prepared by extrusion 发现号收购集团 2024-11-15 CN claimed
US-12021262-B2 Slurry composition including organic particles, sulfosuccinic acid ester, hydrocarbon, and water, adhesive layer formed from the same, separator with adhesive layer, and non-aqueous secondary battery ZEON CORPORATION (JP) 2024-06-25 US claimed
WO-2024035435-A1 DRUG-COATED MEDICAL DEVICES AND METHODS OF MAKING BARD PERIPHERAL VASCULAR, INC. (US) 2024-02-15 WO claimed
US-11831038-B2 Composition for lithium ion secondary battery separator, two-part composition for lithium ion secondary battery separator, method of producing separator for lithium ion secondary battery, and method of producing lithium ion secondary battery ZEON CORPORATION (JP) 2023-11-28 US claimed
CN-111902043-B Solid formulation of insecticidal mixtures 拜耳公司 2023-05-16 CN claimed
CN-111935979-B Solid formulations of insecticide mixtures 拜耳股份公司 2022-12-09 CN claimed
EP-4095264-A1 SURFACE STABILIZATION OF BIOSENSORS Life Technologies Corporation (US) 2022-11-30 EP claimed
US-11441178-B2 Surface stabilization of biosensors Life Technologies Corporation (US) 2022-09-13 US claimed
EP-0843721-A1 CLEANING AND DISINFECTING COMPOSITIONS WITH ELECTROLYTIC DISINFECTING BOOSTER THE PROCTER & GAMBLE COMPANY (US) 1998-05-27 EP claimed
EP-0839790-A1 Antifoulant for acrylic acid purification NALCO/EXXON ENERGY CHEMICALS, L.P. (US) 1998-05-06 EP claimed
US-5746924-A SULFONATES NALCO/EXXON ENERGY CHEMICALS, L.P. (US) 1998-05-05 US claimed
US-5710329-A SULFONATE NALCO/EXXON ENERGY CHEMICAL, L. P. (US) 1998-01-20 US claimed
WO-1997006237-A1 CLEANING AND DISINFECTING COMPOSITIONS WITH ELECTROLYTIC DISINFECTING BOOSTER THE PROCTER & GAMBLE COMPANY (US) 1997-02-20 WO claimed
CN-1023195-C Microsuspension process for preparing solvent core sequential polymer dispersion ROHM & HAAS (US) 1993-12-22 CN claimed
CN-1017339-B Method for producing fine capsule dispersion ROHM & HAAS (US) 1992-07-08 CN claimed
CN-1041116-A Method for producing fine capsule dispersion ROHM & HAAS (US) 1990-04-11 CN claimed
US-4902824-A HYDROCARBON SULFONIC ACIDS WITH SOLVENTS OR FATTY ACIDS NALCO CHEMICAL COMPANY (US) 1990-02-20 US claimed
CN-86103126-A Method for producing fine capsule dispersion 1986-10-29 CN claimed