SCHEMBL968801

SCHEMBL968801

C=CCc1ccccc1S(=O)(=O)ON

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ELANE P08246 1/20 0.32
HTR1A P08908 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
LMNA P02545 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
SLC6A2 P23975 1/20 0.31
BDKRB2 P30411 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 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
SCHEMBL4563849 0.86 GABRA1 (0.39) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL6431995 0.84 GABRA1 (0.51) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL8964103 0.83 GABRA1 (0.37) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL27909817 0.83 GABRA1 (0.37) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL7135417 0.83 GABRA1 (0.44) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL3915442 0.81 GABRA1 (0.36) GABRA1GABRB2POLBKDM4EALDH1A1
Sulfuric Acid SCHEMBL11188392 0.81 GABRA1 (0.40) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL11635082 0.81 ADRB2 (0.39) GABRA1GABRB2POLBKDM4EALDH1A1
SCHEMBL29982553 0.80 CA2 (0.45) GABRA1GABRB2POLBKDM4E
SCHEMBL2298623 0.80 CA2 (0.45) GABRA1GABRB2POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114304164-A Bactericidal preparation and application thereof 沈阳中化农药化工研发有限公司 2022-04-12 CN claimed
US-5691288-A MIXTURE OF POLYOL, STARCH OR DEXTRIN HYDROPHILIC FILM FORMING, ALKYLBENZENESULFONATE AMINE SALT, HYDROCARBONS,SURFACTANTS, ETHANOLAMINE, ACID AND WATER BAYER CORPORATION (US) 1997-11-25 US claimed
US-5597840-A Microemulsion formulation for injection into trees CIBA-GEIGY CORPORATION (US) 1997-01-28 US claimed
CN-114304164-A Bactericidal preparation and application thereof 沈阳中化农药化工研发有限公司 2022-04-12 CN disclosed
CN-110140725-B Pesticide composition 华南农业大学 2021-10-26 CN disclosed
CN-108503791-B Long-acting hydrophilic material 理奥硅科技有限责任公司 2021-06-08 CN disclosed
US-8468942-B2 Method for treating a lithographic printing plate AGFA GRAPHICS, N.V. (BE) 2013-06-25 US disclosed
US-20110000384-A1 METHOD FOR TREATING A LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2011-01-06 US disclosed
CN-101918842-A Method of analyzing a sample for a bacterium using diacetylene-containing polymer sensor 3M INNOVATIVE PROPERTIES CO 2010-12-15 CN disclosed
EP-2065211-B1 A method for treating a lithographic printing plate AGFA GRAPHICS NV (BE) 2010-05-26 EP disclosed
WO-2009068426-A1 A METHOD FOR TREATING A LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2009-06-04 WO disclosed
EP-2065211-A1 A method for treating a lithographic printing plate Agfa Graphics N.V. (BE) 2009-06-03 EP disclosed
US-5691288-A MIXTURE OF POLYOL, STARCH OR DEXTRIN HYDROPHILIC FILM FORMING, ALKYLBENZENESULFONATE AMINE SALT, HYDROCARBONS,SURFACTANTS, ETHANOLAMINE, ACID AND WATER BAYER CORPORATION (US) 1997-11-25 US disclosed
US-5691288-A MIXTURE OF POLYOL, STARCH OR DEXTRIN HYDROPHILIC FILM FORMING, ALKYLBENZENESULFONATE AMINE SALT, HYDROCARBONS,SURFACTANTS, ETHANOLAMINE, ACID AND WATER BAYER CORPORATION (US) 1997-11-25 US disclosed
US-5597840-A Microemulsion formulation for injection into trees CIBA-GEIGY CORPORATION (US) 1997-01-28 US disclosed