Citronellal

Citronellal

SCHEMBL5961371

CC(C)=CCCC(C)CC=O.CC(C)[C@H]1CC[C@@H](C)CC1=O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 2/20 0.34
HPGD P15428 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
PTPN1 P18031 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
STAT3 P40763 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
Rel-Menthone SCHEMBL15647453 0.84 ALOX15 (0.41) ALOX15ALDH1A1GLANFE2L2TSHR
Citronellal SCHEMBL1864131 0.75 ALOX15 (0.57) ALOX15ALDH1A1GLAHPGDNFE2L2
Citronellal SCHEMBL29275 0.75 ALOX15 (0.57) ALOX15ALDH1A1GLAHPGDNFE2L2
Citronellal SCHEMBL457495 0.75 ALOX15 (0.57) ALOX15ALDH1A1GLAHPGDNFE2L2
(-)-Citronellal SCHEMBL726161 0.75 ALOX15 (0.57) ALOX15ALDH1A1GLAHPGDNFE2L2
Rel-Menthone SCHEMBL5961370 0.74 PTPN1 (0.35) MEN1KMT2AMGAMGAASI
Citronellal SCHEMBL25260936 0.73 ALOX15 (0.55) ALOX15ALDH1A1GLAHPGDNFE2L2
Citronellal SCHEMBL28427452 0.73 ALOX15 (0.55) ALOX15ALDH1A1GLAHPGDNFE2L2
Citronellal SCHEMBL10553397 0.73 ALOX15 (0.55) ALOX15ALDH1A1GLAHPGDNFE2L2
Citronellal SCHEMBL3310337 0.73 ALOX15 (0.55) ALOX15ALDH1A1GLAHPGDNFE2L2

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
EP-1624881-A1 COMPOSITIONS AND METHODS FOR CONTROLLING INSECTS VANDERBILT UNIVERSITY (US) 2006-02-15 EP disclosed
WO-2004100971-A1 COMPOSITIONS AND METHODS FOR CONTROLLING INSECTS VANDERBILT UNIVERSITY (US) 2004-11-25 WO disclosed