Citronellal

Citronellal

SCHEMBL28074675

CC(C)=CCCC(C)CC=O.CCCCCC=C/C=C/C=O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
ALOX15 P16050 3/20 0.37
FASN P49327 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
FAAH O00519 4/20 0.36
PPARG P37231 2/20 0.36
GPR132 Q9UNW8 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LTB4R Q15722 1/20 0.35

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
Citronellal SCHEMBL1179118 0.78 ALOX15 (0.53) ALDH1A1TSHRALOX15
Citronellal SCHEMBL1864131 0.78 ALOX15 (0.57) ALDH1A1TSHRALOX15
(-)-Citronellal SCHEMBL726161 0.78 ALOX15 (0.57) ALDH1A1TSHRALOX15
Citronellal SCHEMBL29275 0.78 ALOX15 (0.57) ALDH1A1TSHRALOX15
Citronellal SCHEMBL457495 0.78 ALOX15 (0.57) ALDH1A1TSHRALOX15
SCHEMBL585675 0.77 ALDH1A1 (0.42) ALDH1A1TSHRALOX15FASNCNR1
SCHEMBL585673 0.77 ALDH1A1 (0.42) ALDH1A1TSHRALOX15FASNCNR1
Citronellal SCHEMBL21517815 0.77 ALOX15 (0.40) ALDH1A1TSHRALOX15FAAHTRPV1
Linoleic Acid SCHEMBL9754634 0.77 PPARG (0.60) ALDH1A1TSHRALOX15FAAHPPARG
Citronellal SCHEMBL28370962 0.76 ALOX15 (0.57) ALDH1A1TSHRALOX15

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-105823836-A Sauce braised meat product flavor active substance profile analysis method 中国农业科学院农产品加工研究所 2016-08-03 CN disclosed