SCHEMBL5077535

SCHEMBL5077535

CCCCCCCc1ccc2cc(Oc3c(Br)cc(CCC(=O)OC(=O)CC)cc3Br)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.41
THRB P10828 8/20 0.41
LTB4R Q15722 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
GRM1 Q13255 1/20 0.34
CA2 P00918 2/20 0.33

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
Propionic Acid SCHEMBL5077534 0.90 THRA (0.52) THRATHRBLTB4RPPARGPPARD
SCHEMBL3133738 0.90 THRA (0.54) THRATHRBLTB4RPPARGPPARD
SCHEMBL3141004 0.81 THRA (0.53) THRATHRBPPARGPPARDPPARA
SCHEMBL3140699 0.78 THRA (0.54) THRATHRB
SCHEMBL5136424 0.75 TDP1 (0.45) THRATHRBCA2
SCHEMBL3137369 0.72 THRA (0.56) THRATHRB
Iodide SCHEMBL28230532 0.69 PDE10A (0.49) LTB4RHDAC1HDAC2
SCHEMBL3145813 0.68 THRA (0.52) THRATHRB
SCHEMBL3145893 0.68 THRA (0.52) THRATHRB
SCHEMBL3138766 0.67 PDE2A (0.43) THRATHRBHDAC1HDAC2

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