Thymol

Thymol

SCHEMBL27482159

CC(C)c1cccc(O)c1.Cc1ccc(C(C)C)c(O)c1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.68
TRPA1 O75762 3/20 0.68
HTR2B P41595 2/20 0.68
LMNA P02545 1/20 0.68
CHRM1 P11229 1/20 0.68
SLC6A2 P23975 1/20 0.68
TYR P14679 2/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ALOX12 P18054 3/20 0.45
HTT P42858 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MDM4 O15151 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
Thymol SCHEMBL25290783 0.90 LMNA (0.72) ADRA1ATRPA1HTR2BLMNACHRM1
Thymol SCHEMBL252621 0.83 TRPA1 (0.78) ADRA1ATRPA1HTR2BLMNACHRM1
Thymol SCHEMBL28353432 0.83 LMNA (0.66) ADRA1ATRPA1HTR2BLMNACHRM1
Thymol SCHEMBL22165 0.82 LMNA (1.00) ADRA1ATRPA1HTR2BLMNACHRM1
Thymol SCHEMBL29579824 0.82 LMNA (1.00) ADRA1ATRPA1HTR2BLMNACHRM1
Thymol SCHEMBL1867982 0.82 LMNA (1.00) ADRA1ATRPA1HTR2BLMNACHRM1
Thymol SCHEMBL30332213 0.82 LMNA (1.00) ADRA1ATRPA1HTR2BLMNACHRM1
Thymol SCHEMBL5809360 0.81 TRPA1 (0.81) ADRA1ATRPA1HTR2BLMNACHRM1
Thymol SCHEMBL29087267 0.81 LMNA (0.88) ADRA1ATRPA1HTR2BLMNACHRM1
Thymol SCHEMBL8506977 0.80 LMNA (0.95) ADRA1ATRPA1HTR2BLMNACHRM1

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
CN-1183036-A Dentifrice composition EISAI CO LTD (JP) 1998-05-27 CN claimed
CN-1183036-A Dentifrice composition EISAI CO LTD (JP) 1998-05-27 CN disclosed