SCHEMBL5859482

SCHEMBL5859482

COC(=O)C(C)=CCCC(OC)OC

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28765919 0.85 CYP2D6 (0.42) CYP2D6CYP2C19ALOX15
SCHEMBL3934005 0.82 CYP2D6 (0.39) CYP2D6CYP2C19ALOX15ALDH1A1
SCHEMBL3934007 0.82 CYP2D6 (0.39) CYP2D6CYP2C19ALOX15ALDH1A1
SCHEMBL3935911 0.81 CYP2D6 (0.38) CYP2D6CYP2C19ALOX15ALDH1A1
SCHEMBL3272672 0.81 CYP2D6 (0.38) CYP2D6CYP2C19ALOX15ALDH1A1
SCHEMBL5501446 0.77 CYP2D6 (0.44) CYP2D6CYP2C19ALOX15ALDH1A1
SCHEMBL29404250 0.75 ALDH1A1 (0.37) CYP2D6CYP2C19ALDH1A1
SCHEMBL19601525 0.75 CYP2C19 (0.38) CYP2D6CYP2C19ALDH1A1
SCHEMBL2535313 0.75 CYP2C19 (0.38) CYP2D6CYP2C19ALDH1A1
SCHEMBL1138871 0.75 ALDH1A1 (0.37) CYP2D6CYP2C19ALDH1A1

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-1457527-B1 CURABLE COMPOSITION, SEALING MATERIAL, AND ADHESIVE SEKISUI CHEMICAL CO LTD (JP) 2013-03-27 EP disclosed
US-7135518-B2 Curable compositions, sealing material, and adhesive SEKISUI CHEMICAL CO., LTD. (JP) 2006-11-14 US disclosed
US-20050261412-A1 Curable compositions, sealing material, and adhesive SEKISUI CHEMICAL CO., LTD. (JP) 2005-11-24 US disclosed
EP-1457527-A1 CURABLE COMPOSITIONS, SEALING MATERIAL, AND ADHESIVE SEKISUI CHEMICAL CO., LTD. (JP) 2004-09-15 EP disclosed