SCHEMBL8991654

SCHEMBL8991654

O=C(OC1CCCCCCCCCCC1)OC1CCCCCCCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.60
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CYP2C19 P33261 1/20 0.47
NAAA Q02083 2/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
EPHX2 P34913 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
SCHEMBL984315 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL8426647 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL11589654 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL13387598 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
SCHEMBL37472 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL11651995 0.97 EPHX1 (0.58) EPHX1CA12CA1CA2CA9
Hydrogen Peroxide SCHEMBL28079673 0.97 EPHX1 (0.58) EPHX1CA12CA1CA2CA9
SCHEMBL1080505 0.97 EPHX1 (0.58) EPHX1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL6487536 0.97 EPHX1 (0.58) EPHX1CA12CA1CA2CA9
SCHEMBL982024 0.97 EPHX1 (0.56) EPHX1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577167-B1 Method of producing an N-hydroxycarbamate compound UBE INDUSTRIES (JP) 1996-07-03 EP claimed
US-5463109-A Process for preparing carbamates UBE INDUSTRIES, LTD. (JP) 1995-10-31 US claimed
EP-0449558-B1 Process for preparing carbamates UBE INDUSTRIES (JP) 1995-10-25 EP claimed
US-5315032-A Method of producing an N-hydroxycarbamate compound UBE INDUSTRIES, LTD. (JP) 1994-05-24 US claimed
EP-0577167-A2 Method of producing an N-hydroxycarbamate compound UBE INDUSTRIES, LTD. (JP) 1994-01-05 EP claimed
EP-0449558-A2 Process for preparing carbamates UBE INDUSTRIES, LTD. (JP) 1991-10-02 EP claimed
EP-2518044-B1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS INC (JP) 2016-04-13 EP disclosed
US-9000219-B2 Method for treatment of isocyanate residue, and method for treatment of carbonate MITSUI CHEMICALS, INC. (JP) 2015-04-07 US disclosed
EP-2518044-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE Mitsui Chemicals, Inc. (JP) 2012-10-31 EP disclosed
US-20120271067-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS, INC. 2012-10-25 US disclosed
EP-0577167-B1 Method of producing an N-hydroxycarbamate compound UBE INDUSTRIES (JP) 1996-07-03 EP disclosed
EP-0449558-B1 Process for preparing carbamates UBE INDUSTRIES (JP) 1995-10-25 EP disclosed
US-5315032-A Method of producing an N-hydroxycarbamate compound UBE INDUSTRIES, LTD. (JP) 1994-05-24 US disclosed
EP-0577167-A2 Method of producing an N-hydroxycarbamate compound UBE INDUSTRIES, LTD. (JP) 1994-01-05 EP disclosed
US-4080309-A Carbonic acid ester perfumes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DT) 1978-03-21 US disclosed
US-4033993-A Cycloalkyl carbonates HENKEL & CIE G.M.B.H. (DT) 1977-07-05 US disclosed