Citronellal

Citronellal

SCHEMBL5367751

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

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.55
ALDH1A1 P00352 2/20 0.47
NFE2L2 Q16236 1/20 0.41
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.34
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
SCHEMBL1871307 0.92 ALOX15 (0.64) ALOX15ALDH1A1NFE2L2TSHRUSP2
SCHEMBL416782 0.92 ALOX15 (0.64) ALOX15ALDH1A1NFE2L2TSHRUSP2
SCHEMBL23832186 0.92 ALOX15 (0.64) ALOX15ALDH1A1NFE2L2TSHRUSP2
Formic Acid SCHEMBL17748814 0.89 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellal SCHEMBL29275 0.85 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellal SCHEMBL1864131 0.85 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2TSHRUSP2
(-)-Citronellal SCHEMBL726161 0.85 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellal SCHEMBL457495 0.85 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellal SCHEMBL6729294 0.83 ALOX15 (0.54) ALOX15ALDH1A1NFE2L2TSHRUSP2
Citronellal SCHEMBL10553397 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7249605-B2 Tobacco smoke filter elements BRITISH AMERICAN TOBACCO (INVESTMENTS) LTD. (GB) 2007-07-31 US disclosed
US-20040074507-A1 Tobacco smoke filter elements MACADAM KEVIN GERARD (GB) 2004-04-22 US disclosed