SCHEMBL5574356

SCHEMBL5574356

O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.O=C1OC(=O)c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.53
PTPRC P08575 1/20 0.49
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 2/20 0.45
CA7 P43166 1/20 0.45
CA12 O43570 1/20 0.40
LCK P06239 1/20 0.40
TYMS P04818 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL77252 0.90 S100A4 (0.63) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL29424353 0.90 S100A4 (0.63) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL11313202 0.81 S100A4 (0.53) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL1825474 0.79 TDP1 (0.47) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL11440253 0.76 ALDH1A1 (0.56) MAPTALDH1A1TSHRCA2CA1
Phthalic Anhydride SCHEMBL9348467 0.75 ALDH1A1 (0.68) MAPTKMT2AALDH1A1TSHRTYMS
SCHEMBL8653951 0.73 S100A4 (0.52) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL4958062 0.73 TDP1 (0.58) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL1892649 0.72 TYMS (0.55) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL16863047 0.71 TDP1 (0.50) S100A4PTPRCMAPTRECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754693-B9 Process for the production of esters or lactones DAICEL CHEM (JP) 2013-08-14 EP disclosed
EP-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
EP-1754693-B1 Process for the production of esters or lactones DAICEL CHEM (JP) 2013-02-06 EP disclosed
EP-1754693-A1 Process for the production of esters or lactones, and process for the production of peroxides Daicel Chemical Industries, Ltd. (JP) 2007-02-21 EP disclosed
EP-0990631-B1 PROCESS FOR COOXIDIZING ORGANIC COMPOUNDS DAICEL CHEM (JP) 2007-01-24 EP disclosed
EP-1036788-B1 Process for producing sulfonic acids or salts thereof DAICEL CHEM (JP) 2003-06-04 EP disclosed
EP-1070678-B1 PROCESS FOR PRODUCING HYDROGEN PEROXIDE DAICEL CHEM (JP) 2003-05-07 EP disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
US-6375922-B1 OXIDATION OF ALCOHOL WITH OXYGEN IN PRESENCE OF (N-HYDROXY-) SUCCINIMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
EP-1099684-A1 PROCESS FOR THE PREPARATION OF NITRO COMPOUNDS AND METHOD FOR THE REMOVAL OF NITROGEN DIOXIDE Daicel Chemical Industries, Ltd. (JP) 2001-05-16 EP disclosed
US-6229023-B1 N-OXY OR HYDROXY CYCLIC IMIDE OXIDATION CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-08 US disclosed
US-6201156-B1 REACTING AN ETHER WITH NITROGEN MONOXIDE IN THE PRESENCE OF A CATALYST BEING COMPOSED OF AN IMIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-13 US disclosed
EP-1070678-A1 PROCESS FOR PRODUCING HYDROGEN PEROXIDE Daicel Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
US-6143924-A Process for producing organic sulfur acids or salts thereof DAICEL CHEMICAL INDUSTRIES, LTD (JP) 2000-11-07 US disclosed
EP-1036788-A1 Process for producing sulfonic acids or salts thereof Daicel Chemical Industries, Ltd. (JP) 2000-09-20 EP disclosed
EP-0990631-A1 PROCESS FOR COOXIDIZING ORGANIC COMPOUNDS, PROCESS FOR PRODUCING EPOXY COMPOUNDS AND PROCESS FOR PRODUCING ESTERS OR LACTONES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed