Linalool

Linalool

SCHEMBL28023286

C=CC(C)(O)CCC=C(C)C.COC(C)=O

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.76
HIF1A Q16665 4/20 0.44
EPAS1 Q99814 4/20 0.44
CYP3A4 P08684 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.33
CHRNA7 P36544 1/20 0.33
STAT3 P40763 1/20 0.33
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
APP P05067 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
Linalool SCHEMBL28503155 0.87 ALOX15 (0.85) ALOX15HIF1AEPAS1CYP3A4LMNA
Linalool SCHEMBL1471881 0.87 ALOX15 (0.85) ALOX15HIF1AEPAS1CYP3A4LMNA
Linalool SCHEMBL28058703 0.87 ALOX15 (0.85) ALOX15HIF1AEPAS1CYP3A4LMNA
Linalool SCHEMBL28042246 0.87 ALOX15 (0.92) ALOX15HIF1AEPAS1CYP3A4LMNA
Linalool (+) SCHEMBL901244 0.87 ALOX15 (1.00) ALOX15HIF1AEPAS1CYP3A4LMNA
Linalool (+) SCHEMBL891312 0.87 ALOX15 (1.00) ALOX15HIF1AEPAS1CYP3A4LMNA
Linalool SCHEMBL254425 0.87 ALOX15 (1.00) ALOX15HIF1AEPAS1CYP3A4LMNA
Linalool SCHEMBL20316 0.87 ALOX15 (1.00) ALOX15HIF1AEPAS1CYP3A4LMNA
Linalool SCHEMBL988357 0.87 ALOX15 (1.00) ALOX15HIF1AEPAS1CYP3A4LMNA
Linalool SCHEMBL29481111 0.87 ALOX15 (1.00) ALOX15HIF1AEPAS1CYP3A4LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104892446-B The amide derivatives and its preparation method of linalool and its application in antibacterial 江苏耐雀生物工程技术有限公司 2017-09-15 CN claimed
CN-104892446-A Amide derivatives of linalool, preparation method of amide derivatives and application of amide derivatives in bacteria prevention JIANGSU NATURE BIOLOG ENGINEERING TECHNOLOGY CO LTD 2015-09-09 CN claimed
CN-104892446-B The amide derivatives and its preparation method of linalool and its application in antibacterial 江苏耐雀生物工程技术有限公司 2017-09-15 CN disclosed
CN-104892446-A Amide derivatives of linalool, preparation method of amide derivatives and application of amide derivatives in bacteria prevention JIANGSU NATURE BIOLOG ENGINEERING TECHNOLOGY CO LTD 2015-09-09 CN disclosed