Docusate

Docusate

SCHEMBL329779

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.[AlH3].[NaH]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.94
CYP3A4 P08684 5/20 0.57
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 7/20 0.45
CA2 P00918 4/20 0.45
LMNA P02545 4/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
CA1 P00915 1/20 0.34

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 SCHEMBL6546555 0.99 RECQL (0.92) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL4021672 0.99 RECQL (0.92) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL1395966 0.99 RECQL (0.92) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL6840848 0.99 RECQL (0.92) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL23883099 0.99 RECQL (0.97) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL29959 0.99 RECQL (0.97) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL157076 0.99 RECQL (0.97) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL1996246 0.99 RECQL (0.97) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL2310065 0.99 RECQL (0.97) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL1608235 0.97 RECQL (0.94) 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715809-A Method for preparing oil-extended rubber through polymerization reaction 山东京博中聚新材料有限公司 2023-09-08 CN disclosed
WO-2020235285-A1 MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE, AND RESIN PRODUCT 株式会社ブリヂストン (JP) 2020-11-26 WO disclosed
CN-111065602-A Process for preparing pentachlorodisilane and purified reaction products containing the same DDP特种电子材料美国第9有限公司 2020-04-24 CN disclosed
EP-3168061-B1 TIRE SUMITOMO RUBBER IND (JP) 2019-04-10 EP disclosed
US-10189974-B2 Tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-01-29 US disclosed
US-10040883-B2 Multimodal polyolefin resin and molded product prepared therefrom DAELIM INDUSTRIAL CO., LTD. (KR) 2018-08-07 US disclosed
EP-2832753-B1 MULTIMODAL POLYOLEFIN RESIN AND MOLDED PRODUCT PREPARED THEREFROM DAELIM IND CO LTD (KR) 2018-04-11 EP disclosed
US-20170137598-A1 TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-05-18 US disclosed
EP-3168061-A1 TIRE Sumitomo Rubber Industries, Ltd. (JP) 2017-05-17 EP disclosed
CN-104592425-B A kind of cycloheptatriene base rare-earth metal catalyst, preparation method and application 北京理工大学 2017-03-08 CN disclosed
US-20020012849-A1 Crosslinked polyether; solid electrolyte MIURA KATSUHITO (JP) 2002-01-31 US disclosed
EP-1123948-A1 SOLID CROSSLINKED-POLYMER ELECTROLYTE AND USE THEREOF DAISO CO., LTD. (JP) 2001-08-16 EP disclosed
US-6162563-A Polymer Solid Electrolyte DAISO CO., LTD (JP) 2000-12-19 US disclosed
EP-0994143-A1 Solid polymer electrolyte and use thereof DAISO CO., LTD. (JP) 2000-04-19 EP disclosed
EP-0856538-A1 SOLID POLYELECTROLYTE DAISO CO., LTD. (JP) 1998-08-05 EP disclosed
EP-0652240-B1 Process for polybutadiene production using catalyst with high activity BAYER INC (CA) 1998-01-28 EP disclosed
US-5428119-A A mixture of neodymium carboxylate, an alkyl aluminum chloride and an alkyl aluminum hydride POLYSAR RUBBER CORPORATION (CA) 1995-06-27 US disclosed
EP-0652240-A1 Process for polybutadiene production using catalyst with high activity BAYER RUBBER INC. (CA) 1995-05-10 EP disclosed
US-5268232-A Metathesis ring opening polymerization using catalyst HERCULES INCORPORATED (US) 1993-12-07 US disclosed
US-3933942-A ORGANO-ALUMINUM CATALYST EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-01-20 US disclosed