SCHEMBL7788937

SCHEMBL7788937

COC(=O)NCCCCCNC(=O)OC

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.82
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
ACHE P22303 7/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7788569 1.00 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL14252129 1.00 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL717081 1.00 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7788927 1.00 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7252127 0.97 EPHX1 (0.77) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL23735485 0.93 EPHX1 (0.72) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL14433357 0.92 EPHX1 (0.70) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL13202309 0.91 KDM4E (0.73) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL1616893 0.91 EPHX1 (1.00) EPHX1ACHE
SCHEMBL14178263 0.91 EPHX1 (0.69) EPHX1KDM4EMAPK1HIF1ATDP1

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
US-9000219-B2 Method for treatment of isocyanate residue, and method for treatment of carbonate MITSUI CHEMICALS, INC. (JP) 2015-04-07 US disclosed
US-20120271067-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS, INC. 2012-10-25 US disclosed
US-20090036638-A1 Contrast Dyes for Inkjet Lithographic Printing Plates AGFA GRAPHICS NV (BE) 2009-02-05 US disclosed
US-20090036638-A1 Contrast Dyes for Inkjet Lithographic Printing Plates AGFA GRAPHICS NV (BE) 2009-02-05 US disclosed
US-20080280055-A1 Inkjet Lithographic Printing Plates and Method for Their Preparation AGFA GRAPHICS NV (BE) 2008-11-13 US disclosed
US-20080280055-A1 Inkjet Lithographic Printing Plates and Method for Their Preparation AGFA GRAPHICS NV (BE) 2008-11-13 US disclosed
EP-0795543-B1 Use of high boiling solvents or solvent mixtures as heat exchange medium in the thermal decomposition of carbamic esters BAYER AG (DE) 2001-10-31 EP disclosed
EP-0795544-B1 Process for the thermal decomposition of carbamic esters BAYER AG (DE) 2001-10-31 EP disclosed
US-5883291-A Heat exchange media for the thermal cracking of carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
US-5731458-A Process for thermally cracking carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
EP-0795544-A1 Process for the thermal decomposition of carbamic esters BAYER AG (DE) 1997-09-17 EP disclosed
EP-0795543-A1 Use of high boiling solvents or solvent mixtures as heat exchange medium in the thermal decomposition of carbamic esters BAYER AG (DE) 1997-09-17 EP disclosed
EP-0542106-B1 Process for the preparation of polyisocyanates BAYER AG (DE) 1995-12-27 EP disclosed
US-5284969-A Thermal decomposition of the corresponding carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
EP-0542106-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1993-05-19 EP disclosed