SCHEMBL5282266

SCHEMBL5282266

COC(=O)Cc1cc(Br)c(Oc2cc(C(C)C)c(OC)c([N+](=O)[O-])c2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 16/20 0.47
THRB P10828 16/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.42

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
SCHEMBL5351674 0.90 THRA (0.48) THRATHRBCYP3A4CYP2C19CYP2C9
SCHEMBL5354531 0.85 CYP3A4 (0.40) THRATHRBCYP3A4CYP2C19CYP2C9
SCHEMBL5351673 0.84 THRA (0.43) THRATHRBCYP3A4CYP2C19
SCHEMBL5280888 0.83 THRA (0.57) THRATHRB
SCHEMBL5285435 0.83 THRA (0.50) THRATHRB
SCHEMBL12312830 0.83 THRA (0.50) THRATHRBCYP3A4CYP2C19CYP2C9
SCHEMBL5367327 0.83 THRA (0.62) THRATHRBCYP3A4CYP2C19
SCHEMBL5367322 0.83 THRA (0.62) THRATHRBCYP3A4CYP2C19
SCHEMBL5964570 0.81 THRA (0.46) THRATHRBCYP3A4CYP2C19
SCHEMBL5351679 0.80 THRA (0.43) THRATHRBCYP3A4CYP2C19CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862450-A2 Novel compounds KARO BIO AB (SE) 2007-12-05 EP disclosed
EP-1537073-B1 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KAROBIO AB (SE) 2007-09-12 EP disclosed
EP-1537073-A2 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2005-06-08 EP disclosed
WO-2004007430-A2 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2004-01-22 WO disclosed