Thymol

Thymol

SCHEMBL6388124

Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)cc1O.[CaH2].[CaH2]

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
TRPA1 O75762 3/20 0.68
PTGS1 P23219 1/20 0.68
CACNA1C Q13936 1/20 0.68
CHRM1 P11229 1/20 0.68
SLC6A2 P23975 1/20 0.68
ADRA1A P35348 1/20 0.68
HTR2B P41595 1/20 0.68
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
TYR P14679 1/20 0.40
SRC P12931 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
RNASEH1 O60930 1/20 0.38

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 SCHEMBL1080118 0.98 LMNA (0.70) LMNATRPA1PTGS1CACNA1CCHRM1
Thymol SCHEMBL3212495 0.95 LMNA (0.66) LMNATRPA1PTGS1CACNA1CCHRM1
Thymol SCHEMBL15717374 0.90 LMNA (0.84) LMNATRPA1PTGS1CACNA1CCHRM1
Thymol SCHEMBL5809360 0.84 TRPA1 (0.81) LMNATRPA1PTGS1CACNA1CCHRM1
Thymol SCHEMBL8506977 0.84 LMNA (0.95) LMNATRPA1PTGS1CHRM1SLC6A2
Carvacrol SCHEMBL1668461 0.84 PTGS1 (0.95) LMNATRPA1PTGS1CACNA1CGABRA1
Thymol SCHEMBL1668335 0.84 LMNA (0.95) LMNATRPA1PTGS1CHRM1SLC6A2
Thymol SCHEMBL16915452 0.83 TYR (0.52) LMNATRPA1PTGS1CACNA1CCHRM1
Thymol SCHEMBL26976898 0.83 TRPA1 (0.50) LMNATRPA1PTGS1CACNA1CCHRM1
Thymol SCHEMBL16915470 0.83 TYR (0.52) LMNATRPA1PTGS1CACNA1CCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480527-A4 COMPOSITIONS AND METHODS FOR INCREASING MILK PRODUCTION IN ANIMALS BEEK GLOBAL NINKOV L L C VAN (US) 2005-03-30 EP disclosed
EP-1480527-A2 COMPOSITIONS AND METHODS FOR INCREASING MILK PRODUCTION IN ANIMALS Van Beek Global/Ninkov L.L.C. (US) 2004-12-01 EP disclosed
WO-2003068158-A2 COMPOSITIONS AND METHODS FOR INCREASING MILK PRODUCTION IN ANIMALS VAN BEEK GLOBAL/NINKOV L.L.C. (US) 2003-08-21 WO disclosed