SCHEMBL8086223

SCHEMBL8086223

CCCCOC(=O)NCCCNCCCCN

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.60
EPHX2 P34913 2/20 0.47
EPHX1 P07099 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
SCHEMBL29728302 0.97 ACHE (0.60) ACHEEPHX2EPHX1
SCHEMBL8086226 0.95 ACHE (0.62) ACHEEPHX2EPHX1
SCHEMBL6269354 0.94 ACHE (0.68) ACHEEPHX2EPHX1
SCHEMBL4736241 0.92 ACHE (0.71) ACHEEPHX2EPHX1
SCHEMBL721691 0.92 ACHE (0.71) ACHEEPHX2EPHX1
SCHEMBL6950987 0.92 ACHE (0.71) ACHEEPHX2EPHX1
SCHEMBL29991047 0.92 ACHE (0.71) ACHEEPHX2EPHX1
SCHEMBL7677452 0.92 ACHE (0.71) ACHEEPHX2EPHX1
SCHEMBL856878 0.89 ACHE (0.70) ACHEEPHX2
SCHEMBL20580780 0.87 ACHE (0.79) ACHEEPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782923-A1 PROCESS FOR THE PREPARATION OF STEROL DERIVATIVES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2014-10-01 EP disclosed
WO-2013076257-A1 PROCESS FOR THE PREPARATION OF STEROL DERIVATIVES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2013-05-30 WO disclosed
EP-1040096-A1 NEUROPROTECTIVE AGENTS THE UNIVERSITY OF SOUTHAMPTON (GB) 2000-10-04 EP disclosed
WO-1999031049-A1 NEUROPROTECTIVE AGENTS UNIVERSITY OF SOUTHAMPTON (GB) 1999-06-24 WO disclosed