SCHEMBL2301233

SCHEMBL2301233

CC=CCCC=CCC(C)C=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL2301231 1.00 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL4505380 0.85
SCHEMBL2163585 0.85
SCHEMBL13450811 0.85
SCHEMBL4584154 0.83 TP53 (0.32)
SCHEMBL2614303 0.83 TP53 (0.32)
SCHEMBL25417536 0.79 ALDH1A1 (0.38)
SCHEMBL7254400 0.76
SCHEMBL15326849 0.76 ALDH1A1 (0.38) PPARGPPARDPPARA
SCHEMBL18828262 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655582-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE ALDEHYDE OR KETONE AND OXAZOLIDINE FRAGRANCE PRECURSOR Henkel AG & Co. KGaA (DE) 2013-10-30 EP claimed
EP-2536469-A1 STABILIZED PERFUME OILS Henkel AG & Co. KGaA (DE) 2012-12-26 EP claimed
WO-2012084292-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE ALDEHYDE OR KETONE AND OXAZOLIDINE FRAGRANCE PRECURSOR HENKEL AG & CO. KGAA (DE) 2012-06-28 WO claimed
WO-2011101182-A1 STABILIZED PERFUME OILS HENKEL AG & CO. KGAA (DE) 2011-08-25 WO claimed
CN-108191627-A New cycloalkanes aldehyde, preparation method and its purposes in perfume industry 威·曼父子有限公司 2018-06-22 CN disclosed