SCHEMBL7116646

SCHEMBL7116646

CCC(=O)Oc1cc(Br)c(Oc2ccc(O)c(I)c2)c(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.44
THRA P10827 10/20 0.44
PCNA P12004 6/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 3/20 0.44
HIF1A Q16665 3/20 0.44
ABCB11 O95342 2/20 0.44
GABRA1 P14867 2/20 0.44
PPARG P37231 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL7116011 0.88 THRA (0.40) THRBTHRALMNAPOLBHIF1A
SCHEMBL7115993 0.82 L3MBTL1 (0.39) THRBTHRALMNAHIF1AHPGD
SCHEMBL5279150 0.75 THRA (0.40) THRBTHRAPOLB
SCHEMBL5862535 0.75 HIF1A (0.50) THRBTHRAPCNALMNAPOLB
SCHEMBL5281913 0.74 THRA (0.59) THRBTHRA
SCHEMBL7122561 0.72 ACHE (0.41) LMNAHIF1AHPGDSMN1; SMN2HSD17B10
SCHEMBL7114999 0.72 THRB (0.49) THRBTHRAPCNALMNAPOLB
SCHEMBL5288578 0.72 ERN1 (0.44) THRBTHRA
SCHEMBL5277949 0.71 THRA (0.43) THRBTHRAPCNALMNAPOLB
SCHEMBL5861511 0.69 THRB (0.52) THRBTHRAPCNALMNAPOLB

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