SCHEMBL389830

SCHEMBL389830

C=Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
HDAC2 Q92769 2/20 0.51
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 3/20 0.46
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
ERN1 O75460 1/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
Acetic Acid SCHEMBL9711149 0.88 HDAC2 (0.54) LTA4HHDAC2GSK3BALDH1A1ERN1
SCHEMBL15259638 0.87 DPP4 (0.49) LTA4HHDAC2GSK3BALDH1A1CYP17A1
SCHEMBL6853994 0.84 HDAC2 (0.49) LTA4HHDAC2GSK3BALDH1A1CYP17A1
SCHEMBL13790222 0.83 HDAC2 (0.64) LTA4HHDAC2GSK3BALDH1A1CYP17A1
SCHEMBL8572231 0.82 PRMT6 (0.46) LTA4HHDAC2GSK3BALDH1A1CYP17A1
SCHEMBL338810 0.82 LTA4H (0.70) LTA4HHDAC2GSK3BALDH1A1CYP17A1
SCHEMBL6847896 0.80 HDAC2 (0.57) LTA4HHDAC2GSK3BALDH1A1CYP17A1
SCHEMBL6853997 0.80 HDAC2 (0.57) LTA4HHDAC2GSK3BALDH1A1CYP17A1
SCHEMBL7455134 0.79 LTA4H (0.67) LTA4HHDAC2GSK3BALDH1A1CYP17A1
SCHEMBL5852 0.79 HDAC2 (0.56) LTA4HHDAC2GSK3BCYP17A1CYP11B1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084596-B Method for hydrogenation functionalization of photocatalytic aryl olefin compound 山东第二医科大学 2024-07-26 CN disclosed
CN-118084596-A Method for hydrogenation functionalization of photocatalytic aryl olefin compound 山东第二医科大学 2024-05-28 CN disclosed
CN-110105495-B Rare earth styrene derivative/isoprene/butadiene ternary rubber and preparation method thereof 大连理工大学 2021-12-24 CN disclosed
CN-110256369-A A method of preparing the isoxazole compound of Polyfluoroalkyl substitution 中国人民大学 2019-09-20 CN disclosed
CN-104725170-B Hydroformylation process 陶氏技术投资有限责任公司 2019-08-23 CN disclosed
CN-104955568-B Process for stabilizing a phosphite ligand against degradation 陶氏技术投资有限责任公司 2017-05-03 CN disclosed
EP-1551885-B1 PROCESS TO MODIFY POLYMERIC MATERIALS 3M INNOVATIVE PROPERTIES CO (US) 2016-02-17 EP disclosed
EP-2606054-A1 FUNCTIONALIZED POLYHEDRAL OCTAVINYLSILSESQUIOXANES Adam Mickiewicz University (PL) 2013-06-26 EP disclosed
WO-2012023867-A1 FUNCTIONALIZED POLYHEDRAL OCTAVINYLSILSESQUIOXANES ADAM MICKIEWICZ UNIVERSITY (PL) 2012-02-23 WO disclosed
US-8101711-B2 Process to modify polymeric materials and resulting compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-24 US disclosed
US-20100048819-A1 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2010-02-25 US disclosed
US-7632916-B2 Thermally induced graft polymerization in an apparatus by shearing, devolatilization; grafting isoprene-t-butyl methacrylate copolymer with polyoxyethylene glycol methyl ether, forming methacrylic acid/anhydride monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-15 US disclosed
US-20070122915-A1 Continuous process for the production of combinatorial libraries of modified materials 3M INNOVATIVE PROPETIES COMPANY 2007-05-31 US disclosed
US-7157283-B2 Continuous process for the production of combinatorial libraries of modified materials 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-02 US disclosed
EP-1551885-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M Innovative Properties Company (US) 2005-07-13 EP disclosed
EP-1551547-A1 A CONTINUOUS PROCESS FOR THE PRODUCTION OF COMBINATORIAL LIBRARIES OF MODIFIED MATERIALS 3M Innovative Properties Company (US) 2005-07-13 EP disclosed
WO-2004012858-A1 A CONTINUOUS PROCESS FOR THE PRODUCTION OF COMBINATORIAL LIBRARIES OF MODIFIED MATERIALS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-02-12 WO disclosed
WO-2004013189-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-02-12 WO disclosed
US-20040023398-A1 Continuous process for the production of combinatorial libraries of modified materials 3M INNOVATIVE PROPERTIES COMPANY 2004-02-05 US disclosed
US-20040024130-A1 Process to modify polymeric materials and resulting compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-02-05 US disclosed