Citronellol

Citronellol

SCHEMBL8076836

CC(C)=CCCC(C)CCO.Cc1ccc(C(C)C)cc1O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.55
TRPA1 O75762 2/20 0.55
ALDH1A1 P00352 2/20 0.55
PTGS1 P23219 1/20 0.55
CACNA1C Q13936 1/20 0.55
SRC P12931 1/20 0.43
PTPN1 P18031 3/20 0.38
TYR P14679 1/20 0.37
LMNA P02545 1/20 0.35
NFE2L2 Q16236 1/20 0.34
IDO1 P14902 1/20 0.34
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MAOB P27338 2/20 0.34
APP P05067 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33

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
Citronellol SCHEMBL8063188 0.82 ALDH1A1 (0.38) ALOX15TRPA1ALDH1A1PTGS1CACNA1C
Citronellol SCHEMBL3414132 0.82 ALOX15 (0.64) ALOX15TRPA1ALDH1A1SRCPTPN1
Xanthorrizol SCHEMBL14879579 0.80 SRC (0.56) ALOX15TRPA1ALDH1A1PTGS1CACNA1C
Xanthorrizol SCHEMBL14115131 0.80 SRC (0.56) ALOX15TRPA1ALDH1A1PTGS1CACNA1C
Xanthorrizol SCHEMBL13816855 0.80 SRC (0.56) ALOX15TRPA1ALDH1A1PTGS1CACNA1C
Geraniol SCHEMBL15012445 0.79 TRPA1 (0.55) ALOX15TRPA1ALDH1A1PTGS1CACNA1C
Geraniol SCHEMBL15012448 0.79 TRPA1 (0.55) ALOX15TRPA1ALDH1A1PTGS1CACNA1C
Carvacrol SCHEMBL28323637 0.75 PTGS1 (0.84) ALOX15TRPA1ALDH1A1PTGS1CACNA1C
Linalool SCHEMBL15012443 0.74 ALOX15 (0.55) ALOX15TRPA1PTGS1CACNA1CSRC
Citral SCHEMBL16829460 0.74 TRPA1 (0.53) TRPA1ALDH1A1PTGS1CACNA1CPTPN1

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-1029032-A1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2000-08-23 EP disclosed
WO-1999019452-A1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX® CONTAINING FABRICS UNILEVER PLC (GB) 1999-04-22 WO disclosed