SCHEMBL8064359

SCHEMBL8064359

COC(=O)C(Br)Br.COc1ccc(Oc2ccc3cc2-3)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.43
THRB P10828 5/20 0.43
THRA P10827 1/20 0.42
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CYP2D6 P10635 2/20 0.38
LPAR1 Q92633 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Dibromoacetic Acid SCHEMBL8047059 0.90 THRB (0.46) RORCTHRBTHRACYP2D6MEN1
SCHEMBL8057619 0.78 RORC (0.46) RORCTHRBTHRA
Dibromoacetic Acid SCHEMBL8059529 0.78 THRB (0.51) THRBTHRA
SCHEMBL8062096 0.77 THRB (0.45) RORCTHRBTHRACYP2D6HTT
SCHEMBL8047083 0.76 THRB (0.47) RORCTHRBTHRASCN1ASCN2A
SCHEMBL7050847 0.74 THRB (0.54) RORCTHRBTHRA
SCHEMBL8047080 0.73 THRB (0.50) THRBTHRA
SCHEMBL8064350 0.71 THRB (0.47) THRBTHRA
Dichloroacetic Acid SCHEMBL4351126 0.71 THRB (0.51) THRBTHRA
SCHEMBL7074480 0.70 RORC (0.45) RORCTHRBTHRALPAR1

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-1000008-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 2000-05-17 EP disclosed
WO-1999000353-A1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KARO BIO AB (SE) 1999-01-07 WO disclosed