SCHEMBL8769659

SCHEMBL8769659

C=C(C)COC(=O)NCCCC

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.63
EPHX1 P07099 1/20 0.48
FAAH O00519 1/20 0.46
ALOX15 P16050 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
SCHEMBL5249793 0.81 ACHE (0.63) ACHEEPHX1FAAHALOX15
SCHEMBL10629902 0.81 ACHE (0.68) ACHEEPHX1
SCHEMBL10016930 0.81 ACHE (0.68) ACHEEPHX1FAAH
SCHEMBL13702495 0.80 ACHE (0.57) ACHEEPHX1
Formaldehyde SCHEMBL845246 0.79 ACHE (0.70) ACHEEPHX1ALOX15
SCHEMBL1160484 0.79 ACHE (0.70) ACHEEPHX1ALOX15
SCHEMBL593415 0.78 ACHE (0.76) ACHEEPHX1ALOX15
SCHEMBL4190885 0.77 ACHE (0.73) ACHEEPHX1
SCHEMBL10927214 0.77 ACHE (0.64) ACHE
SCHEMBL12093782 0.77 ACHE (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579102-B1 Liquid chromatography stationary phases with reduced silanol interactions WATERS INVESTMENTS LTD (US) 1997-09-17 EP disclosed
US-5374755-A Silica substrate with silanol surface groups blocked by (substituted)dialkylcarbamates MILLIPORE CORPORATION (US) 1994-12-20 US disclosed
EP-0579102-A1 Liquid chromatography stationary phases with reduced silanol interactions WATERS INVESTMENTS LIMITED (US) 1994-01-19 EP disclosed