SCHEMBL8000101

SCHEMBL8000101

CCN(CC)CC.NC(=S)S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ABCB11 O95342 2/20 0.48
HTT P42858 2/20 0.48
GSDMD P57764 2/20 0.48
CYP2E1 P05181 1/20 0.48
PTGS1 P23219 1/20 0.48
EHMT2 Q96KQ7 3/20 0.35
EHMT1 Q9H9B1 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
PHGDH O43175 2/20 0.33
MGLL Q99685 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PLIN1 O60240 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
Cyclopentane SCHEMBL9838016 0.92 ALDH1A1 (0.44) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
Butanedione SCHEMBL28258758 0.87 HPGD (0.41) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
SCHEMBL8000107 0.84 ALDH1A1 (0.40) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
SCHEMBL28001733 0.84 ALDH1A1 (0.52) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
SCHEMBL27977298 0.84 ALDH1A1 (0.52) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
SCHEMBL5671521 0.84 ALDH1A1 (0.40) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
SCHEMBL5671517 0.81 ALDH1A1 (0.39) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
SCHEMBL27977598 0.81 ALDH1A1 (0.50) ALDH1A1CYP2C9HPGDHSD17B10ABCB11
Propane SCHEMBL27698299 0.79
SCHEMBL587612 0.79 HTT (0.52) ALDH1A1CYP2C9HPGDHSD17B10ABCB11

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002674-A Ashless thiophosphates derived from dihydrocarbyl dithiocarbamates; wear and oxidation resistance in internal combustion engines MOBIL OIL CORPORATION (US) 1991-03-26 US claimed
US-4919830-A Dithiocarbamate-derived phosphates as antioxidant/antiwear multifunctional additives MOBIL OIL CORPORATION (US) 1990-04-24 US claimed
CN-108779213-A Methacrylic resin composition and formed body 旭化成株式会社 2018-11-09 CN disclosed
CN-108627979-A Head-mounted display component 旭化成株式会社 2018-10-09 CN disclosed
CN-108350125-A METHACRYLIC RESIN, METHACRYLIC RESIN COMPOSITION, FILM, AND PRODUCTION METHOD 旭化成株式会社 2018-07-31 CN disclosed
CN-107540779-A Methacrylic resin composition, the manufacture method of the Methacrylic resin composition, particle and formed body 旭化成株式会社 2018-01-05 CN disclosed
CN-105949695-A METHACRYLIC RESIN COMPOSITION, METHOD FOR PRODUCING THE SAME, AND MOLDED ARTICLE 旭化成株式会社 2016-09-21 CN disclosed
CN-104829632-A Cephalosporin derivative containing dithiocarbamic acid substituent group UNIV SUN YAT SEN 2015-08-12 CN disclosed
CN-102229551-B Method for preparing isothiocyanate UNIV ZHEJIANG TECHNOLOGY 2014-07-02 CN disclosed
CN-102229551-A Method for preparing isothiocyanate UNIV ZHEJIANG TECHNOLOGY 2011-11-02 CN disclosed
US-6287821-B1 NUCLEOTIDE HAVING CLEAVABLE LINKING GROUP, SPACER LINKING GROUP, AND REPORTER MOLECULE ATTACHED AT 3' POSITION; REPORTER MOLECULE HAS GREATER FLUORESCENCE WHEN UNATTACHED FROM NUCLEOTIDE; SENSITIVE AMPLIFICATION OF SIGNAL ORCHID BIOSCIENCES, INC. 2001-09-11 US disclosed
WO-1987003870-A1 LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-07-02 WO disclosed
US-4676924-A Liquid crystalline isothiocyanates with dioxane ring and liquid crystalline admixtures containing same WOJSKOWA AKADEMIA TECHNICZNA (PL) 1987-06-30 US disclosed
EP-0126883-B1 LIQUID CRYSTALLINE CYCLOHEXYLBENZENE DERIVATIVES, THEIR PREPARATION AND THE LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1987-03-11 EP disclosed
US-4610954-A ANTIFOGGING AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1986-09-09 US disclosed
US-4569899-A Photographic element for silver salt diffusion transfer process FUJI PHOTO FILM CO., LTD. (JP) 1986-02-11 US disclosed
EP-0170082-A2 Liquid crystalline isothiocyanates with a dioxane ring and liquid crystalline admixtures containing the same Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1986-02-05 EP disclosed
US-4520096-A Photographic elements for silver salt diffusion transfer process containing mercapto imidazole stabilizers FUJI PHOTO FILM CO., LTD. (JP) 1985-05-28 US disclosed
EP-0128594-A2 Photographic elements for silver salt diffusion transfer process FUJI PHOTO FILM CO., LTD. (JP) 1984-12-19 EP disclosed
EP-0126883-A1 Liquid crystalline cyclohexylbenzene derivatives, their preparation and the liquid crystal compositions containing them Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1984-12-05 EP disclosed