SCHEMBL1706524

SCHEMBL1706524

CCCCCCCCCC(C)C=O.COC(C)(C)CCCC(C)CC=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACE2 Q9BYF1 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CA2 P00918 1/20 0.33
CTSK P43235 1/20 0.32
ABCB1 P08183 1/20 0.31
CA1 P00915 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL113867 0.84 CYP3A4 (0.52) LMNAALDH1A1CYP3A4TDP1
SCHEMBL20819487 0.84 CYP3A4 (0.52) LMNAALDH1A1CYP3A4TDP1
SCHEMBL9322388 0.84 ADH1B (0.43) ACE2ZDHHC7ADH1BADH1CADH1A
SCHEMBL225537 0.81 ALDH1A1 (0.41) LMNAALDH1A1CYP3A4TDP1CTSK
SCHEMBL29619785 0.81 ALDH1A1 (0.41) LMNAALDH1A1CYP3A4TDP1CTSK
Malonic Acid SCHEMBL10751042 0.76 ALDH1A1 (0.49) LMNAALDH1A1CYP3A4TDP1
SCHEMBL14336196 0.76 ADH1B (0.50) LMNAACE2ADH1BADH1CADH1A
SCHEMBL2925631 0.76 ADH1B (0.50) LMNAACE2ADH1BADH1CADH1A
SCHEMBL1067436 0.76 ADH1B (0.50) LMNAACE2ADH1BADH1CADH1A
SCHEMBL158205 0.76 ADH1B (0.50) LMNAACE2ADH1BADH1CADH1A

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-2536469-B1 STABILISED PERFUME OILS HENKEL AG & CO KGAA (DE) 2014-03-19 EP claimed
EP-2536469-A1 STABILIZED PERFUME OILS Henkel AG & Co. KGaA (DE) 2012-12-26 EP claimed
EP-2440643-A1 ODOR-IMPARTING DETERGENT, CLEANING OR CARE PRODUCT Henkel AG & Co. KGaA (DE) 2012-04-18 EP claimed
WO-2011101182-A1 STABILIZED PERFUME OILS HENKEL AG & CO. KGAA (DE) 2011-08-25 WO claimed
WO-2010142481-A1 ODOR-IMPARTING DETERGENT, CLEANING OR CARE PRODUCT HENKEL AG & CO. KGAA (DE) 2010-12-16 WO claimed
WO-2010142480-A1 ODOR-IMPARTING DETERGENT, CLEANING OR CARE PRODUCT HENKEL AG & CO. KGAA (DE) 2010-12-16 WO claimed
EP-2440643-B1 ODOR-IMPARTING DETERGENT, CLEANING OR CARE PRODUCT HENKEL AG & CO KGAA (DE) 2017-10-11 EP disclosed
EP-2536469-B1 STABILISED PERFUME OILS HENKEL AG & CO KGAA (DE) 2014-03-19 EP disclosed
EP-2536469-A1 STABILIZED PERFUME OILS Henkel AG & Co. KGaA (DE) 2012-12-26 EP disclosed
WO-2011101182-A1 STABILIZED PERFUME OILS HENKEL AG & CO. KGAA (DE) 2011-08-25 WO disclosed