SCHEMBL11056577

SCHEMBL11056577

C=CC(C)c1ccc(C)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
TRPA1 O75762 2/20 0.62
CHRM1 P11229 1/20 0.62
SLC6A2 P23975 1/20 0.62
ADRA1A P35348 1/20 0.62
HTR2B P41595 1/20 0.62
SRC P12931 1/20 0.49
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL11062180 0.85 LMNA (0.47) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL27696940 0.81 LMNA (0.62) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL9835248 0.80 TRPA1 (0.41) LMNATRPA1CHRM1SLC6A2ADRA1A
Thymol SCHEMBL30332213 0.77 LMNA (1.00) LMNATRPA1CHRM1SLC6A2ADRA1A
Thymol SCHEMBL1867982 0.77 LMNA (1.00) LMNATRPA1CHRM1SLC6A2ADRA1A
Thymol SCHEMBL29579824 0.77 LMNA (1.00) LMNATRPA1CHRM1SLC6A2ADRA1A
Thymol SCHEMBL22165 0.77 LMNA (1.00) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL31545444 0.77 LMNA (0.75) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL51957 0.77 LMNA (0.75) LMNATRPA1CHRM1SLC6A2ADRA1A
Thymol SCHEMBL23932298 0.75 LMNA (0.95) LMNATRPA1CHRM1SLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57139032-A None JP disclosed
US-4428868-A 5-Methyl-2-(2'-oxo-3'-butyl)phenol and perfume compositions comprising same TAKASAGO PERFUMERY CO., LTD. (JP) 1984-01-31 US disclosed
EP-0058906-B1 5-METHYL-2-(2'-OXO-3'-BUTYL) PHENOL AND PERFUME COMPOSITIONS COMPRISING SAME Takasago Perfumery Co., Ltd. (JP) 1984-01-25 EP disclosed
EP-0058906-A1 5-Methyl-2-(2'-oxo-3'-butyl) phenol and perfume compositions comprising same Takasago Perfumery Co., Ltd. (JP) 1982-09-01 EP disclosed
JP-S57139032-A 2-(BUTAN-2-ON-3-YL)-5-METHYLPHENOL AND PERFUMERY COMPOSITION CONTAINING THE SAME TAKASAGO CORP 1982-08-27 JP disclosed