SCHEMBL3661888

SCHEMBL3661888

CCCCOC(=O)NCCC(C)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.54
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
EPHX2 P34913 2/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL1287156 0.84 NPC1 (0.49) ACHEHRH4HRH3
SCHEMBL8297170 0.83 ACHE (0.58) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6120869 0.79 EPHX1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4HRH4
SCHEMBL4669848 0.78 ACHE (0.57) ACHE
SCHEMBL5224263 0.77 SMN1; SMN2 (0.55) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1161597 0.77 ACHE (0.65) ACHEEPHX2
SCHEMBL9513038 0.77 ACHE (0.60) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3400197 0.77 ACHE (0.60) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14996209 0.76 ACHE (0.64) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10939707 0.76 ACHE (0.81) ACHEEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234982-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080523-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
EP-1781649-A2 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2007-05-09 EP disclosed
WO-2006018188-A2 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 WO disclosed