Linalyl Acetate

Linalyl Acetate

SCHEMBL28080375

C=C(C)[C@H]1CC=C(C)CC1.C=CC(C)(CCC=C(C)C)OC(=O)CC.C=CC(C)(CCC=C(C)C)OC(C)=O.C=CC(C)(O)CCC=C(C)C.CC(C)=CCCC(C)(O)C1CO1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
STAT3 P40763 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNA7 P36544 1/20 0.42
PTPN1 P18031 1/20 0.39
TSHR P16473 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
Linalyl Acetate SCHEMBL3663853 0.88 ALOX15 (0.55) ALOX15CYP3A4LMNASTAT3MAPK1
Linalyl Acetate SCHEMBL27789241 0.85 ALOX15 (0.59) ALOX15CYP3A4LMNASTAT3MAPK1
Linalool SCHEMBL7633462 0.78 LMNA (0.58) ALOX15CYP3A4LMNASTAT3MAPK1
Linalool SCHEMBL5801612 0.78 LMNA (0.58) ALOX15CYP3A4LMNASTAT3MAPK1
Linalool SCHEMBL29113952 0.78 LMNA (0.58) ALOX15CYP3A4LMNASTAT3MAPK1
(-)-Limonene SCHEMBL8033433 0.74 LMNA (0.50) ALOX15CYP3A4LMNASTAT3MAPK1
Linalyl Acetate SCHEMBL28096246 0.72 ALOX15 (0.68) ALOX15CYP3A4LMNASTAT3MAPK1
Linalyl Acetate SCHEMBL1471933 0.71 ALOX15 (0.44) ALOX15CYP3A4LMNA
Linalool SCHEMBL2931642 0.70 ALOX15 (0.44) ALOX15CYP3A4LMNASTAT3MAPK1
Linalyl Acetate SCHEMBL5773882 0.70 ALOX15 (0.67) ALOX15CYP3A4LMNASTAT3MAPK1

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
CN-105806142-A Ceramic coated automotive heat exchanger components 汉高股份有限及两合公司 2016-07-27 CN disclosed