Citronellal

Citronellal

SCHEMBL6729294

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.54
ALDH1A1 P00352 2/20 0.46
NFE2L2 Q16236 1/20 0.40
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 1/20 0.33
GGPS1 O95749 2/20 0.32
FDPS P14324 2/20 0.32
GLA P06280 1/20 0.31
HPGD P15428 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
SCHEMBL130555 0.94 ALOX15 (0.60) ALOX15ALDH1A1NFE2L2TSHRUSP2
SCHEMBL30879511 0.94 ALOX15 (0.60) ALOX15ALDH1A1NFE2L2TSHRUSP2
SCHEMBL13280347 0.91 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2TSHRUSP2
SCHEMBL10715969 0.86 ALOX15 (0.55) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellic Acid SCHEMBL30396281 0.84 ALOX15 (0.54) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellal SCHEMBL29275 0.83 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2TSHRUSP2
(-)-Citronellal SCHEMBL726161 0.83 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellal SCHEMBL1864131 0.83 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellal SCHEMBL457495 0.83 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellal SCHEMBL5367751 0.83 ALOX15 (0.55) ALOX15ALDH1A1NFE2L2TSHRUSP2

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
US-20040180022-A1 Solubilizers for aqueous detergent compositions, containing an oily substance COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2004-09-16 US disclosed