SCHEMBL5858736

SCHEMBL5858736

CNc1ccc(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 18/20 0.52
▸ THRA P10827 16/20 0.52
▸ HCAR3 P49019 1/20 0.47
▸ PPARG P37231 1/20 0.45

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
SCHEMBL5858232 0.83 THRB (0.53) THRBTHRAPPARG
SCHEMBL5858364 0.83 THRB (0.52) THRBTHRAPPARG
SCHEMBL5858762 0.82 THRB (0.55) THRBTHRAPPARG
SCHEMBL7118031 0.82 HTT (0.47) HCAR3
SCHEMBL5861455 0.81 HCAR3 (0.46) THRBTHRAHCAR3
SCHEMBL27890925 0.78 THRA (0.51) THRBTHRA
SCHEMBL2785542 0.78 THRB (0.67) THRBTHRA
SCHEMBL6522547 0.76 HCAR3 (0.57) HCAR3
SCHEMBL7250246 0.76 MEN1 (0.46) THRBTHRA
SCHEMBL27874611 0.76 ALDH1A1 (0.42) THRBTHRA

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
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