Thymol

Thymol

SCHEMBL6892142

Cc1ccc(C(C)C)c(O)c1.Oc1cccc2ccccc12

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.66
LMNA P02545 1/20 0.66
CHRM1 P11229 1/20 0.66
SLC6A2 P23975 1/20 0.66
ADRA1A P35348 1/20 0.66
HTR2B P41595 1/20 0.66
CYP1A2 P05177 3/20 0.53
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
DHFR P00374 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
CYP2A6 P11509 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 SCHEMBL15012878 0.85 LMNA (0.84) TRPA1LMNACHRM1SLC6A2ADRA1A
Thymol SCHEMBL22165 0.81 LMNA (1.00) TRPA1LMNACHRM1SLC6A2ADRA1A
Thymol SCHEMBL29579824 0.81 LMNA (1.00) TRPA1LMNACHRM1SLC6A2ADRA1A
Thymol SCHEMBL30332213 0.81 LMNA (1.00) TRPA1LMNACHRM1SLC6A2ADRA1A
Thymol SCHEMBL1867982 0.81 LMNA (1.00) TRPA1LMNACHRM1SLC6A2ADRA1A
Thymol SCHEMBL23932298 0.79 LMNA (0.95) TRPA1LMNACHRM1SLC6A2ADRA1A
Thymol SCHEMBL5905814 0.79 LMNA (0.95) TRPA1LMNACHRM1SLC6A2ADRA1A
Thymol SCHEMBL7074408 0.79 LMNA (0.95) TRPA1LMNACHRM1SLC6A2ADRA1A
Thymol SCHEMBL8506977 0.79 LMNA (0.95) TRPA1LMNACHRM1SLC6A2ADRA1A
Thymol SCHEMBL11054439 0.79 LMNA (0.95) TRPA1LMNACHRM1SLC6A2ADRA1A

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
EP-0630252-B1 PHARMACEUTICAL PREPARATION BASED ON RHAMNOLIPID AGAINST DERMATOLOGICAL DISEASES PARADIGM BIOMEDICAL INC (US) 2004-12-15 EP disclosed
US-5455232-A Treatment of skin disorders PARADIGM BIOMEDICAL, INC. 1995-10-03 US disclosed
EP-0630252-A1 PHARMACEUTICAL PREPARATION BASED ON RHAMNOLIPID AGAINST DERMATOLOGICAL DISEASES, E.G. PAPILLOMA VIRUS INFECTIONS Piljac, Goran (US) 1994-12-28 EP disclosed
WO-1993014767-A2 PHARMACEUTICAL PREPARATION BASED ON RHAMNOLIPID AGAINST DERMATOLOGICAL DISEASES, E.G. PAPILLOMA VIRUS INFECTIONS INNOVI N.V. (BE) 1993-08-05 WO disclosed