Linalool (+)

Linalool (+)

SCHEMBL901244

C=C[C@](C)(O)CCC=C(C)C.C=C[C@](C)(O)CCC=C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 1.00
HIF1A Q16665 4/20 0.44
EPAS1 Q99814 4/20 0.44
KMT2A Q03164 5/20 0.41
CYP3A4 P08684 5/20 0.41
MEN1 O00255 4/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
CHRNA7 P36544 1/20 0.39
STAT3 P40763 1/20 0.39
MAPT P10636 2/20 0.31
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
UGT1A1 P22309 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 SCHEMBL254425 1.00 ALOX15 (1.00) ALOX15HIF1AEPAS1KMT2ACYP3A4
Linalool SCHEMBL20316 1.00 ALOX15 (1.00) ALOX15HIF1AEPAS1KMT2ACYP3A4
Linalool SCHEMBL29481111 1.00 ALOX15 (1.00) ALOX15HIF1AEPAS1KMT2ACYP3A4
Linalool (+) SCHEMBL891312 1.00 ALOX15 (1.00) ALOX15HIF1AEPAS1KMT2ACYP3A4
Linalool SCHEMBL988357 1.00 ALOX15 (1.00) ALOX15HIF1AEPAS1KMT2ACYP3A4
Linalool SCHEMBL25377128 0.98 ALOX15 (0.96) ALOX15HIF1AEPAS1KMT2ACYP3A4
Linalool SCHEMBL30540150 0.98 ALOX15 (0.96) ALOX15HIF1AEPAS1KMT2ACYP3A4
Linalool SCHEMBL28807873 0.98 ALOX15 (0.96) ALOX15HIF1AEPAS1KMT2ACYP3A4
Linalool SCHEMBL32681772 0.98 ALOX15 (0.96) ALOX15HIF1AEPAS1KMT2ACYP3A4
Linalool SCHEMBL11538181 0.98 ALOX15 (0.96) ALOX15HIF1AEPAS1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197510-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS The Procter & Gamble Company (US) 2017-08-02 EP disclosed
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and Gamble Company (US) 2017-08-02 EP disclosed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
WO-2016049458-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed