SCHEMBL2865617

SCHEMBL2865617

Cc1ccc(C(c2ccc(O)c(C)c2C)c2ccc(O)c(C)c2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
LMNA P02545 2/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 3/20 0.35
TP53 P04637 2/20 0.35
CHRNA7 P36544 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ALOX15 P16050 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL10446156 0.86 TRPA1 (0.38) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL6741099 0.83 TRPA1 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL22238281 0.77 TRPA1 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL21087500 0.77 TYR (0.41) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL19494968 0.76 ALDH1A1 (0.38) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL4066417 0.75 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL3421263 0.75 TRPA1 (0.48) TRPA1LMNASLC6A2HTR2BACHE
SCHEMBL1758427 0.75 TRPA1 (0.63) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL19806855 0.74 TYR (0.49) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL10446053 0.74 ESR1 (0.40) LMNACHRM1SLC6A2ADRA1AACHE

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
US-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed