SCHEMBL8654145

SCHEMBL8654145

CC(C)=CCC(C)(C)C(C)(O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.33
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL11027503 0.79 MEN1 (0.30) ALOX15
SCHEMBL11027500 0.79 MEN1 (0.30) ALOX15
SCHEMBL2050451 0.76 ALOX15 (0.35) ALOX15MAPK1ALDH1A1
SCHEMBL8653496 0.75 ALOX15 (0.41) ALOX15
SCHEMBL2012222 0.69
SCHEMBL17106370 0.67 MAPK1 (0.32) ALOX15MAPK1ALDH1A1
SCHEMBL12032019 0.67 MAPK1 (0.32) ALOX15MAPK1ALDH1A1
SCHEMBL7773089 0.67 MAPK1 (0.32) ALOX15MAPK1ALDH1A1
SCHEMBL1698114 0.67 MAPK1 (0.32) ALOX15MAPK1ALDH1A1
SCHEMBL17106210 0.67 MAPK1 (0.37) ALOX15MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756821-A Open-chain olefinically unsaturated compounds, processes for their preparation and their use as aroma substances HAARMANN & REIMER GMBH (DE) 1998-05-26 US disclosed
EP-0761629-A1 Aliphatic unsaturated compounds, process for their preparation as well as their use as fragrances HAARMANN & REIMER GMBH (DE) 1997-03-12 EP disclosed