Alpha-Humulone

Alpha-Humulone

SCHEMBL17629686

C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1.C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1

nearest known ligand 0.56

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
GLI1 P08151 1/20 0.56
GLI2 P10070 1/20 0.56
MEN1 O00255 1/20 0.37
CNR2 P34972 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARA Q07869 1/20 0.37
PTPN1 P18031 1/20 0.35
STAT3 P40763 1/20 0.35
MET P08581 1/20 0.31

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
Alpha-Humulone SCHEMBL30712204 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2
Alpha-Humulone SCHEMBL157914 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2
Alpha-Humulone SCHEMBL31668762 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2
Alpha-Humulone SCHEMBL29422612 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2
Alpha-Humulone SCHEMBL23460398 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2
Alpha-Humulone SCHEMBL23781774 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2
Alpha-Humulone SCHEMBL106386 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2
Alpha-Humulone SCHEMBL30712205 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2
SCHEMBL29356602 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2
Alpha-Humulone SCHEMBL4211645 1.00 CYP3A4 (0.56) CYP3A4GLI1GLI2MEN1CNR2

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-3197511-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP disclosed
WO-2016049407-A1 ABSORBENT ARTICLE COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049455-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed