SCHEMBL18645313

SCHEMBL18645313

C=C(NCc1ccc(OC(C)(C)C(=O)O)cc1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.83
PPARD Q03181 10/20 0.83
PPARG P37231 5/20 0.83

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
Gw590735 SCHEMBL3673228 0.91 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL6582462 0.84 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL6582584 0.83 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL6582529 0.83 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL4738083 0.83 PPARA (0.77) PPARAPPARDPPARG
SCHEMBL6582310 0.83 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL6582860 0.81 PPARA (0.77) PPARAPPARDPPARG
SCHEMBL6584699 0.81 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL6582904 0.81 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL5185069 0.81 PPARA (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017044551-A1 PPAR-ALPHA AGONISTS FOR TREATING MITOCHONDRIAL DISEASES MITOBRIDGE, INC. (US) 2017-03-16 WO disclosed