SCHEMBL5074394

SCHEMBL5074394

CCCc1cc(C)c2cc(Oc3c(Br)cc(CC(F)C(=O)OC(=O)CC)cc3Br)cc(F)c2n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
PPARG P37231 1/20 0.30

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
SCHEMBL3141250 0.89 THRA (0.37) THRATHRBPPARG
Propionic Acid SCHEMBL5074391 0.89 THRA (0.35) THRATHRBPPARG
SCHEMBL3133494 0.82 THRA (0.38) THRATHRBPPARG
SCHEMBL3140929 0.81 THRA (0.43) THRATHRBPPARG
SCHEMBL5077541 0.77 THRA (0.33) THRATHRB
SCHEMBL3142284 0.77 THRB (0.34) THRATHRBPPARG
SCHEMBL3140915 0.76 THRA (0.38) THRATHRBPPARG
SCHEMBL3145925 0.73 THRA (0.45) THRATHRBPPARG
SCHEMBL3145653 0.72 THRA (0.48) THRATHRBPPARG
SCHEMBL3127311 0.71 THRA (0.45) THRATHRB

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-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed