SCHEMBL7116014

SCHEMBL7116014

COC(=O)C(C)c1cc(Br)c(Oc2ccc(OC)c(I)c2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.40
THRB P10828 8/20 0.40
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5859459 0.89 THRA (0.43) THRATHRBCYP1A2CYP2C19
SCHEMBL7116655 0.87 THRB (0.47) THRATHRBMEN1KMT2ACYP1A2
SCHEMBL7050847 0.86 THRB (0.54) THRATHRB
SCHEMBL7115995 0.83 TDP1 (0.43) THRATHRBMEN1KMT2ACYP1A2
SCHEMBL5858142 0.81 FFAR1 (0.44) THRATHRBCYP1A2CYP2C9
SCHEMBL7125355 0.79 MEN1 (0.45) THRATHRBMEN1KMT2ACYP1A2
SCHEMBL7255051 0.77 THRB (0.48) THRATHRBCYP1A2CYP2C9
SCHEMBL5858138 0.77 THRB (0.49) THRATHRBMEN1KMT2A
SCHEMBL5858756 0.76 THRB (0.62) THRATHRBCYP1A2CYP2C9
SCHEMBL2742620 0.75 ALDH1A1 (0.51) MEN1KMT2ACYP1A2CYP2C19ALDH1A1

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-1358175-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-11-05 EP disclosed
WO-2002062780-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2002-08-15 WO disclosed