SCHEMBL8063305

SCHEMBL8063305

CCCc1ccccc1C(C)C=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CYSLTR2 Q9NS75 8/20 0.37
CYSLTR1 Q9Y271 8/20 0.37
ELANE P08246 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
HTR1A P08908 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL8723703 0.89 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL29573380 0.89 CYSLTR2 (0.44) CYSLTR2CYSLTR1
SCHEMBL1774296 0.86 GABRA1 (0.37) TSHR
SCHEMBL11284984 0.80 CYSLTR2 (0.39) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL11346927 0.79 PNMT (0.38) TSHR
SCHEMBL8228214 0.79 GABRA1 (0.44) TSHRCTSSCTSK
SCHEMBL4950480 0.79 GABRA1 (0.44) TSHRCTSSCTSK
SCHEMBL5704383 0.79 ADRA2A (0.40) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL7643940 0.79 ADRA2A (0.44) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL4843352 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6077318-A TREATING SURFACE WITH NONSTAINING AQUEOUS SOLUTION CONTAINING PERFUME AND LOW LEVELS OF CYCLODEXTRIN DERIVATIVE AND LOW MOLECULAR WEIGHT MONOHYDRIC ALCOHOLS THE PROCTER & GAMBLE COMPANY (US) 2000-06-20 US disclosed