SCHEMBL30080469

SCHEMBL30080469

CCCCOC(=O)NCCOCCOCCCCN=[N+]=[N-]

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.51
EPHX2 P34913 2/20 0.39
EPHX1 P07099 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
SCHEMBL30080289 0.99 ACHE (0.54) ACHEEPHX2EPHX1
SCHEMBL31290254 0.88 ACHE (0.47) ACHEEPHX2
SCHEMBL22381321 0.88 ACHE (0.55) ACHEEPHX2EPHX1
SCHEMBL23137391 0.88 ACHE (0.51) ACHEEPHX2EPHX1
SCHEMBL30354527 0.86 ACHE (0.60) ACHEEPHX2EPHX1
SCHEMBL16166336 0.84 ACHE (0.57) ACHEEPHX2EPHX1
SCHEMBL10817672 0.83 ACHE (0.73) ACHEEPHX2EPHX1
SCHEMBL30080535 0.81 ACHE (0.71) ACHEEPHX2EPHX1
SCHEMBL23042922 0.81 ACHE (0.49) ACHEEPHX2
SCHEMBL30080261 0.80 ACHE (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4330333-A2 NON-COVALENT HALOTAG LIGANDS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2024-03-06 EP disclosed
WO-2022229466-A2 NON-COVALENT HALOTAG LIGANDS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2022-11-03 WO disclosed