Sugi Predict

Sugi Predict / Compounds / SCHEMBL5721779

SCHEMBL5721779

SCHEMBL5721779

CCCCCCCC(NC(=O)COc1ccc(C[C@H](OCC)C(=O)O)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 19/20 0.47
▸ PPARD Q03181 13/20 0.45
▸ PPARG P37231 10/20 0.45
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5721599 0.91 PPARA (0.49) PPARAPPARDPPARG
SCHEMBL6255825 0.88 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL5721478 0.87 PPARA (0.50) PPARAPPARDPPARGALDH1A1
Tert-Butylamine SCHEMBL6319866 0.86 PPARA (0.48) PPARAPPARDPPARGALDH1A1
Tert-Butylamine SCHEMBL6253908 0.85 PPARA (0.47) PPARAPPARDPPARGALDH1A1
SCHEMBL5294554 0.80 PPARA (0.53) PPARAPPARDPPARGALDH1A1
SCHEMBL3967493 0.80 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL4992982 0.79 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL4076321 0.78 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL5721963 0.78 PPARA (0.51) PPARAPPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 — — EP disclosed
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 — — WO disclosed