SCHEMBL29554374

SCHEMBL29554374

C=CCc1cc(CC(C)C)c(O)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.61
TNKS2 Q9H2K2 1/20 0.61
CCR3 P51677 1/20 0.54
ALDH1A1 P00352 4/20 0.51
TRPM8 Q7Z2W7 4/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX5 P09917 2/20 0.51
AR P10275 1/20 0.51
PTGS1 P23219 1/20 0.51
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
GABRA1 P14867 5/20 0.46
GABRB2 P47870 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 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
SCHEMBL6554990 0.86 TNKS (0.65) TNKSTNKS2CCR3ALDH1A1TRPM8
SCHEMBL9172909 0.86 GABRA1 (0.47) TNKSTNKS2CCR3ALDH1A1TRPM8
SCHEMBL31255953 0.84 TNKS (0.63) TNKSTNKS2CCR3ALDH1A1TRPM8
SCHEMBL13899835 0.84 TNKS (0.63) TNKSTNKS2CCR3ALDH1A1TRPM8
SCHEMBL1005864 0.83 TNKS (0.61) TNKSTNKS2CCR3ALDH1A1TRPM8
Methoxyeugenol SCHEMBL293977 0.82 TNKS (0.73) TNKSTNKS2CCR3ALDH1A1TRPM8
SCHEMBL31518933 0.81 TNKS (0.51) TNKSTNKS2CCR3ALDH1A1TRPM8
SCHEMBL31510191 0.81 TNKS2 (0.58) TNKSTNKS2CCR3ALDH1A1TRPM8
SCHEMBL16501712 0.80 SHBG (0.42) TNKSTNKS2CCR3ALDH1A1TRPM8
SCHEMBL417575 0.79 TNKS (0.57) TNKSTNKS2CCR3ALDH1A1TRPM8

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
CN-106929370-B Emulsified flavor composition for alcoholic beverages 高砂香料工业株式会社 2022-05-24 CN disclosed