Linalyl Acetate

Linalyl Acetate

SCHEMBL3663853

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

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.55
LMNA P02545 4/20 0.55
CYP3A4 P08684 2/20 0.55
STAT3 P40763 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRNA7 P36544 1/20 0.47
PTPN1 P18031 1/20 0.45
TSHR P16473 3/20 0.36
TRPA1 O75762 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1B1 Q16678 1/20 0.34
MAPT P10636 1/20 0.32

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
Linalyl Acetate SCHEMBL27789241 0.96 ALOX15 (0.59) ALOX15LMNACYP3A4STAT3MAPK1
Linalool SCHEMBL29113952 0.89 LMNA (0.58) ALOX15LMNACYP3A4STAT3MAPK1
Linalool SCHEMBL5801612 0.89 LMNA (0.58) ALOX15LMNACYP3A4STAT3MAPK1
Linalool SCHEMBL7633462 0.89 LMNA (0.58) ALOX15LMNACYP3A4STAT3MAPK1
Linalyl Acetate SCHEMBL28080375 0.88 ALOX15 (0.44) ALOX15LMNACYP3A4STAT3MAPK1
(-)-Limonene SCHEMBL8033433 0.84 LMNA (0.50) ALOX15LMNACYP3A4STAT3MAPK1
Linalyl Acetate SCHEMBL28096246 0.82 ALOX15 (0.68) ALOX15LMNACYP3A4STAT3MAPK1
Linalool SCHEMBL2931642 0.80 ALOX15 (0.44) ALOX15LMNACYP3A4STAT3MAPK1
Linalyl Acetate SCHEMBL5773882 0.80 ALOX15 (0.67) ALOX15LMNACYP3A4STAT3MAPK1
(-)-Limonene SCHEMBL27845657 0.78 LMNA (0.50) ALOX15LMNACYP3A4STAT3MAPK1

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-2242498-A2 SYNERGISTIC ANTIPARASITIC COMPOSITIONS AND SCREENING METHODS Tyratech, Inc. (US) 2010-10-27 EP disclosed
WO-2009086471-A2 SYNERGISTIC ANTIPARASITIC COMPOSITIONS AND SCREENING METHODS TYRATECH, INC. (US) 2009-07-09 WO disclosed