Carvacrol

Carvacrol

SCHEMBL15210225

Cc1c(O)cccc1C(C)C.Cc1ccc(C(C)C)cc1O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.68
PTGS1 P23219 3/20 0.68
CACNA1C Q13936 1/20 0.68
ALOX12 P18054 3/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 2/20 0.45
HPGD P15428 2/20 0.45
TYR P14679 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MDM4 O15151 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
CA5A P35218 1/20 0.45
HDAC4 P56524 1/20 0.45
MDM2 Q00987 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL36322 0.82 GABRA1 (0.62) TRPA1PTGS1ALOX12CA1CA2
Carvacrol SCHEMBL5326397 0.82 PTGS1 (1.00) TRPA1PTGS1CACNA1CALOX12CA1
SCHEMBL28091847 0.82 GABRA1 (0.62) TRPA1PTGS1ALOX12CA1CA2
SCHEMBL30345312 0.82 GABRA1 (0.62) TRPA1PTGS1ALOX12CA1CA2
Carvacrol SCHEMBL24734 0.82 PTGS1 (1.00) TRPA1PTGS1CACNA1CALOX12CA1
Carvacrol SCHEMBL29544247 0.82 PTGS1 (1.00) TRPA1PTGS1CACNA1CALOX12CA1
Carvacrol SCHEMBL5030301 0.80 PTGS1 (0.95) TRPA1PTGS1CACNA1CALOX12CA1
Carvacrol SCHEMBL7075922 0.80 PTGS1 (0.95) TRPA1PTGS1CACNA1CALOX12CA1
Carvacrol SCHEMBL5031273 0.80 PTGS1 (0.95) TRPA1PTGS1CACNA1CALOX12CA1
Carvacrol SCHEMBL1668461 0.80 PTGS1 (0.95) TRPA1PTGS1CACNA1CALOX12CA1

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
US-9205152-B2 Melt-blended protein composition KIMBERLY-CLARK WORLDWIDE, INC. (US) 2015-12-08 US disclosed
US-20130224316-A1 Melt-Blended Protein Composition KIMBERLY-CLARK WORLDWIDE, INC. (US) 2013-08-29 US disclosed