SCHEMBL1551734

SCHEMBL1551734

C=CC(C)=CCCC(C)(C)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HIF1A Q16665 2/20 0.36
EPAS1 Q99814 2/20 0.36
ALOX15 P16050 3/20 0.35
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
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
SCHEMBL1551733 1.00 GAA (0.38) GAAHIF1AEPAS1ALOX15LMNA
SCHEMBL10651515 0.81 ALOX15 (0.44) GAAHIF1AEPAS1ALOX15LMNA
SCHEMBL11114925 0.79 ALOX15 (0.38) HIF1AEPAS1ALOX15LMNACYP3A4
SCHEMBL11114922 0.79 ALOX15 (0.38) HIF1AEPAS1ALOX15LMNACYP3A4
SCHEMBL12006013 0.75 GAA (0.45) GAAALOX15LMNACYP3A4
SCHEMBL9138775 0.73 GAA (0.56) GAALMNAALDH1A1
SCHEMBL111319 0.72 ALOX15 (0.47) HIF1AEPAS1ALOX15ALDH1A1
SCHEMBL11767058 0.72 ALOX15 (0.47) HIF1AEPAS1ALOX15ALDH1A1
SCHEMBL111320 0.72 ALOX15 (0.47) HIF1AEPAS1ALOX15ALDH1A1
SCHEMBL3358285 0.72 ALOX15 (0.47) GAAHIF1AEPAS1ALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
US-20100210496-A1 Fragrance Effect of Perfume Esters BESSLER CORNELIUS 2010-08-19 US claimed
US-20100210496-A1 Fragrance Effect of Perfume Esters BESSLER CORNELIUS 2010-08-19 US disclosed