SCHEMBL8829979

SCHEMBL8829979

COC(OC)c1c[c]ccc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32

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
SCHEMBL1167597 0.81 EPHX1 (0.31) EPHX1
SCHEMBL8829957 0.78 PTGS2 (0.37)
SCHEMBL95729 0.75
SCHEMBL27729555 0.73 HDAC4 (0.32)
SCHEMBL28174071 0.72 BCHE (0.33)
SCHEMBL6776324 0.72
SCHEMBL1071254 0.71 TAAR1 (0.30)
SCHEMBL1167332 0.71
SCHEMBL5755296 0.71
SCHEMBL3606073 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224483-A Fluorescent compound used for labeling oligosaccharide, and preparation method thereof UNIV NORTHWESTERN POLYTECHNIC 2013-07-31 CN claimed
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US claimed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP claimed
CN-103224483-A Fluorescent compound used for labeling oligosaccharide, and preparation method thereof UNIV NORTHWESTERN POLYTECHNIC 2013-07-31 CN disclosed
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US disclosed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP disclosed
EP-0221601-B1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-10 EP disclosed
US-5180832-A Chemical intermediate for thromboxane A2 inhibitor JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-19 US disclosed
US-4963573-A INHIBIT BIOSYNTHESIS OF THROMBOXANE A2 JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-16 US disclosed
EP-0221601-A1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-13 EP disclosed