SCHEMBL10580452

SCHEMBL10580452

CCCCOC(=O)NCCOCCO

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.69
TSHR P16473 1/20 0.53
EPHX1 P07099 1/20 0.44

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
SCHEMBL7494523 0.98 ACHE (0.67) ACHETSHR
SCHEMBL29612809 0.98 ACHE (0.67) ACHETSHR
SCHEMBL10583462 0.93 ACHE (0.69) ACHEEPHX1
SCHEMBL10817672 0.88 ACHE (0.73) ACHEEPHX1
SCHEMBL22281952 0.88 ACHE (0.61) ACHE
SCHEMBL5246263 0.86 ACHE (0.80) ACHETSHR
SCHEMBL30080535 0.86 ACHE (0.71) ACHEEPHX1
SCHEMBL5248138 0.86 ACHE (0.80) ACHETSHR
SCHEMBL605034 0.85 ACHE (0.72) ACHEEPHX1
SCHEMBL4622478 0.85 ACHE (0.59) ACHEEPHX1

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 6 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-2023225369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CELL-SPECIFIC PHARMACOLOGY DUKE UNIVERSITY (US) 2023-11-23 WO disclosed
WO-2022229466-A2 NON-COVALENT HALOTAG LIGANDS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2022-11-03 WO disclosed
US-4814382-A HYDROXYALKYL CARBAMATE REACTIVE DILUENTS, FILMS UNION CARBIDE CORPORATION (US) 1989-03-21 US disclosed
EP-0285650-A1 SOLVENT BORNE HIGH SOLIDS COATING COMPOSITIONS. UNION CARBIDE CORP (US) 1988-10-12 EP disclosed
WO-1988002766-A1 SOLVENT BORNE HIGH SOLIDS COATING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1988-04-21 WO disclosed