Citronellal

Citronellal

SCHEMBL28027894

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.37
FAAH O00519 2/20 0.35
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GGPS1 O95749 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL29071797 0.81 KDM1A (0.39) ALOX15TSHRALDH1A1FNTAFNTB
SCHEMBL20608591 0.81 ALOX15 (0.45) ALOX15TSHRALDH1A1USP2FAAH
Citronellal SCHEMBL457495 0.80 ALOX15 (0.57) ALOX15TSHRALDH1A1USP2GGPS1
Citronellal SCHEMBL29275 0.80 ALOX15 (0.57) ALOX15TSHRALDH1A1USP2GGPS1
(-)-Citronellal SCHEMBL726161 0.80 ALOX15 (0.57) ALOX15TSHRALDH1A1USP2GGPS1
Citronellal SCHEMBL1864131 0.80 ALOX15 (0.57) ALOX15TSHRALDH1A1USP2GGPS1
Citronellal SCHEMBL21517815 0.79 ALOX15 (0.40) ALOX15TSHRALDH1A1USP2FAAH
Linoleic Acid SCHEMBL9754634 0.79 PPARG (0.60) ALOX15TSHRALDH1A1USP2FAAH
Citronellal SCHEMBL28370962 0.78 ALOX15 (0.57) ALOX15TSHRALDH1A1USP2GGPS1
Citronellal SCHEMBL442629 0.78 ALOX15 (0.52) ALOX15TSHRALDH1A1USP2FNTA

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
CN-104938514-B Prevent and treat the phytochemical synergistic composition of rice blast 贵州大学 2017-10-10 CN disclosed
CN-104938514-A Synergism composition of phytochemicals controlling rice blast UNIV GUIZHOU 2015-09-30 CN disclosed