Zingerone

Zingerone

SCHEMBL28865670

COc1cc(CCC(C)=O)ccc1O.COc1ccccc1O

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.65
OR51E2 Q9H255 1/20 0.65
TRPV1 Q8NER1 4/20 0.57
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C8 P10632 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2B6 P20813 2/20 0.56
CYP2C19 P33261 2/20 0.56
TSHR P16473 3/20 0.56
TAAR1 Q96RJ0 2/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
LMNA P02545 2/20 0.55
GLA P06280 1/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 1/20 0.55

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
Zingerone SCHEMBL29828498 0.93 ALOX5 (0.74) ALOX5OR51E2TRPV1CYP1A2CYP3A4
Zingerone SCHEMBL14763994 0.93 ALOX5 (0.74) ALOX5OR51E2TRPV1CYP1A2CYP3A4
Zingerone SCHEMBL119051 0.93 ALOX5 (0.74) ALOX5OR51E2TRPV1CYP1A2CYP3A4
Zingerone SCHEMBL29378477 0.93 ALOX5 (0.74) ALOX5OR51E2TRPV1CYP1A2CYP3A4
Zingerone SCHEMBL27825673 0.90 ALOX5 (0.63) ALOX5OR51E2TRPV1CYP1A2CYP3A4
Benzylacetone SCHEMBL27515564 0.87 ALDH1A1 (0.66) ALOX5TRPV1CYP1A2CYP3A4CYP2C9
Guaiacol SCHEMBL27757080 0.84 TSHR (0.63) ALOX5OR51E2TSHRTAAR1MAPK1
SCHEMBL27488164 0.84 MTNR1A (0.68) ALOX5OR51E2TRPV1CYP1A2CYP3A4
SCHEMBL9519732 0.83 CYP19A1 (0.67) ALOX5OR51E2TRPV1CYP1A2CYP3A4
Zingerone SCHEMBL11906310 0.82 ALOX5 (0.74) ALOX5OR51E2TRPV1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed