SCHEMBL439650

SCHEMBL439650

CC(O)N(C(=S)S)C(C)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.35
CYP2E1 P05181 1/20 0.35
PTGS1 P23219 1/20 0.35
HTT P42858 1/20 0.35
GSDMD P57764 1/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL11870803 0.80 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL3078858 0.78 ALDH1A1 (0.40) ABCB11CYP2E1PTGS1HTTGSDMD
SCHEMBL28369634 0.75 ALDH1A1 (0.39) ABCB11CYP2E1PTGS1HTTGSDMD
SCHEMBL20819787 0.75 ALDH1A1 (0.39) ABCB11CYP2E1PTGS1HTTGSDMD
SCHEMBL28773605 0.75 ALDH1A1 (0.39) ABCB11CYP2E1PTGS1HTTGSDMD
SCHEMBL11563773 0.75 ALDH1A1 (0.39) ABCB11CYP2E1PTGS1HTTGSDMD
SCHEMBL28773566 0.75 ALDH1A1 (0.39) ABCB11CYP2E1PTGS1HTTGSDMD
SCHEMBL8677340 0.75 ALDH1A1 (0.39) ABCB11CYP2E1PTGS1HTTGSDMD
SCHEMBL1057847 0.73
SCHEMBL11441509 0.69 ABCB11 (0.42) ABCB11CYP2E1PTGS1HTTGSDMD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5358703-A Forming a paramagnetic complex with a dithiocarbamate and reduced iron ions; magnetic resonance imaging MCW RESEARCH FOUNDATION, INC. (US) 1994-10-25 US claimed
US-9112094-B2 Copper tin sulfide and copper zinc tin sulfide ink compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
US-20150118144-A1 DISPERSIBLE METAL CHALCOGENIDE NANOPARTICLES E I DU PONT NEMOURS AND COMPANY (US) 2015-04-30 US disclosed
US-20140144500-A1 SEMICONDUCTOR INKS FILMS, COATED SUBSTRATES AND METHODS OF PREPARATION E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-29 US disclosed
WO-2013172949-A1 DISPERSIBLE METAL CHALCOGENIDE NANOPARTICLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-21 WO disclosed
US-20130264526-A1 MOLECULAR PRECURSORS AND PROCESSES FOR PREPARING COPPER INDIUM GALLIUM SULFIDE/SELENIDE COATINGS AND FILMS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US disclosed
US-20130233202-A1 INKS AND PROCESSES FOR PREPARING COPPER INDIUM GALLIUM SULFIDE/SELENIDE COATINGS AND FILMS EI DU PONT DE NEMOURS AND COMPANY (US) 2013-09-12 US disclosed
US-20130095602-A1 ATYPICAL KESTERITE COMPOSITIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-18 US disclosed
US-8366975-B2 Atypical kesterite compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2013-02-05 US disclosed
EP-2500088-A2 Molecular recognition material and production method thereof Shiseido Co., Ltd. (JP) 2012-09-19 EP disclosed
US-5821260-A Treatment for atherosclerosis and other cardiovascular and inflammatory diseases EMORY UNIVERSITY (US) 1998-10-13 US disclosed
US-5811449-A Treatment for atherosclerosis and other cardiovascular and inflammatory diseases EMORY UNIVERSITY (US) 1998-09-22 US disclosed
US-5807884-A Treatment for atherosclerosis and other cardiovascular and inflammatory diseases EMORY UNIVERSITY (US) 1998-09-15 US disclosed
US-5792787-A Treatment for atherosclerosis and other cardiovascular and inflammatory diseases EMORY UNIVERSITY (US) 1998-08-11 US disclosed
US-5783596-A Treatment for atherosclerosis and other cardiovascular and inflammatory diseases EMORY UNIVERSITY (US) 1998-07-21 US disclosed
US-5773209-A Treatment for atherosclerosis and other cardiovascular and inflammatory diseases EMORY UNIVERSITY (US) 1998-06-30 US disclosed
US-5750351-A Treatment for atherosclerosis and other cardiovascular and inflammatory diseases EMORY UNIVERSITY (US) 1998-05-12 US disclosed
US-5380747-A Treatment for atherosclerosis and other cardiovascular and inflammatory diseases EMORY UNIVERSITY (US) 1995-01-10 US disclosed
US-5358703-A Forming a paramagnetic complex with a dithiocarbamate and reduced iron ions; magnetic resonance imaging MCW RESEARCH FOUNDATION, INC. (US) 1994-10-25 US disclosed
US-5002755-A Administering A Dithiocarbamate Chelator VANDERBILT UNIVERSITY (US) 1991-03-26 US disclosed