SCHEMBL2123154

SCHEMBL2123154

CC(C)CC(=O)C#CC(=O)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CA2 P00918 1/20 0.46
FFAR1 O14842 2/20 0.38
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
PTPN1 P18031 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA1 P00915 1/20 0.32
TSHR P16473 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
SCHEMBL8137496 0.89 TDP1 (0.42) TDP1ALDH1A1CA2FFAR1CYP2C19
SCHEMBL15981255 0.86
SCHEMBL6847856 0.80 ALDH1A1 (0.36) TDP1ALDH1A1CA2FFAR1
SCHEMBL9303765 0.80 ALDH1A1 (0.39) TDP1ALDH1A1CA2FFAR1
SCHEMBL1564422 0.79
SCHEMBL2122845 0.78 ALDH1A1 (0.37) TDP1ALDH1A1CA2FFAR1SMN1; SMN2
SCHEMBL7733855 0.77
SCHEMBL15987 0.77
3-Methylbutanoic Acid SCHEMBL2430870 0.71
SCHEMBL2124804 0.71 CA1 (0.52) TDP1ALDH1A1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2442783-B1 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET SA (FR) 2017-08-09 EP claimed
US-9265852-B2 Deordorising compositions and deodorising products containing same ROBERTET S.A. (FR) 2016-02-23 US claimed
US-20120201778-A1 NOVEL DEORDORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2012-08-09 US claimed
EP-2442783-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME Robertet S.A. (FR) 2012-04-25 EP claimed
WO-2010146258-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2010-12-23 WO claimed
EP-2442783-B1 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET SA (FR) 2017-08-09 EP disclosed
US-9265852-B2 Deordorising compositions and deodorising products containing same ROBERTET S.A. (FR) 2016-02-23 US disclosed
US-20120201778-A1 NOVEL DEORDORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2012-08-09 US disclosed
EP-2442783-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME Robertet S.A. (FR) 2012-04-25 EP disclosed
WO-2010146258-A2 NOVEL DEODORISING COMPOSITIONS AND DEODORISING PRODUCTS CONTAINING SAME ROBERTET S.A. (FR) 2010-12-23 WO disclosed