SCHEMBL5859459

SCHEMBL5859459

COc1ccc(Oc2c(Br)cc(C(C)C(=O)O)cc2Br)cc1I

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.43
THRB P10828 7/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 3/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
PPARG P37231 1/20 0.39
APP P05067 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7116014 0.89 THRA (0.40) THRATHRBCYP1A2CYP2C19
SCHEMBL5363051 0.85 THRB (0.58) THRATHRB
SCHEMBL5861511 0.85 THRB (0.52) THRATHRBCYP1A2TSHRPPARG
SCHEMBL5858142 0.85 FFAR1 (0.44) THRATHRBCYP1A2PPARG
SCHEMBL5858288 0.83 PTGS2 (0.54) THRATHRBPTGS2PTGS1AKR1C3
SCHEMBL5858138 0.82 THRB (0.49) THRATHRBTSHRPPARG
SCHEMBL7125355 0.80 MEN1 (0.45) THRATHRBCYP1A2TSHRPPARG
SCHEMBL5858756 0.79 THRB (0.62) THRATHRBCYP1A2PPARG
SCHEMBL5858136 0.78 THRB (0.39) THRATHRBAKR1C3AKR1C2CYP1A2
SCHEMBL5964846 0.78 THRA (0.48) THRATHRBPTGS2PTGS1AKR1C3

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
US-7144909-B2 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2006-12-05 US disclosed
US-20040116387-A1 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2004-06-17 US disclosed