SCHEMBL31395401

SCHEMBL31395401

[2H]C([2H])([2H])[C@H](CCC)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.51
IL6ST P40189 1/20 0.41
NAAA Q02083 1/20 0.40
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
FAAH O00519 1/20 0.38
PPARG P37231 1/20 0.38
IDH1 O75874 8/20 0.38
AGTR2 P50052 1/20 0.37
ABCB1 P08183 1/20 0.37
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL31395216 1.00 PPARA (0.51) PPARAIL6STNAAAKLK7KLK5
SCHEMBL4448170 0.93 PPARA (0.54) PPARAIL6STNAAAKLK7KLK5
SCHEMBL13625847 0.93 PPARA (0.54) PPARAIL6STNAAAKLK7KLK5
SCHEMBL3689311 0.93 PPARA (0.54) PPARAIL6STNAAAKLK7KLK5
SCHEMBL14314072 0.86 PPARA (0.54) PPARAIL6STNAAAFAAHPPARG
SCHEMBL13316517 0.86 PPARA (0.54) PPARAIL6STNAAAFAAHPPARG
SCHEMBL20825575 0.85 PPARA (0.59) PPARAIL6STNAAAPPARGIDH1
SCHEMBL22552723 0.85 PPARA (0.59) PPARAIL6STNAAAPPARGIDH1
SCHEMBL20820036 0.85 PPARA (0.59) PPARAIL6STNAAAPPARGIDH1
SCHEMBL22552990 0.85 PPARA (0.59) PPARAIL6STNAAAPPARGIDH1

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-119546577-A Modulators of G protein-coupled receptor 88 阿卡蒂亚药品公司 2025-02-28 CN disclosed