Linalool

Linalool

SCHEMBL2931642

C=C(C)C1CC=C(C)CC1.C=CC(C)(O)CCC=C(C)C.O=C(O)CCc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
STAT3 P40763 2/20 0.44
MAPK1 P28482 1/20 0.44
CHRNA7 P36544 1/20 0.44
LMNA P02545 3/20 0.43
PTPN1 P18031 1/20 0.43
TSHR P16473 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
KEAP1 Q14145 1/20 0.34
TRPA1 O75762 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
Linalool SCHEMBL29113952 0.86 LMNA (0.58) ALOX15CYP3A4MEN1KMT2ASTAT3
Linalool SCHEMBL5801612 0.86 LMNA (0.58) ALOX15CYP3A4MEN1KMT2ASTAT3
Linalool SCHEMBL7633462 0.86 LMNA (0.58) ALOX15CYP3A4MEN1KMT2ASTAT3
Linalyl Acetate SCHEMBL3663853 0.80 ALOX15 (0.55) ALOX15CYP3A4MEN1KMT2ASTAT3
(-)-Limonene SCHEMBL27845657 0.79 LMNA (0.50) ALOX15CYP3A4MEN1KMT2ASTAT3
Linalool SCHEMBL17423723 0.77 ALOX15 (0.56) ALOX15MEN1KMT2ATRPV1KEAP1
Linalyl Acetate SCHEMBL27789241 0.75 ALOX15 (0.59) ALOX15CYP3A4MEN1KMT2ASTAT3
(-)-Limonene SCHEMBL8033433 0.73 LMNA (0.50) ALOX15CYP3A4MEN1KMT2ASTAT3
Linalool SCHEMBL27639785 0.71 ALOX15 (0.61) ALOX15CYP3A4MEN1KMT2ASTAT3
(-)-Limonene SCHEMBL17332032 0.71 LMNA (0.61) ALOX15CYP3A4MEN1KMT2ASTAT3

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
EP-2149362-A1 VESICLE-CONTAINING COMPOSITION, AND METHOD FOR PRODUCTION THEREOF Shiseido Company, Ltd. (JP) 2010-02-03 EP disclosed