SCHEMBL8624416

SCHEMBL8624416

CCCCc1oc2ccc(NS(=O)(=O)C(F)(F)F)cc2c1C(=O)c1cc(I)c(CC)c(I)c1OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ ESR1 P03372 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
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 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
SCHEMBL8620706 0.87 THRA (0.66) THRATHRBESR1PGRCHRM2
SCHEMBL8625007 0.87 THRB (0.34) THRATHRB
SCHEMBL8619474 0.83 THRA (0.51) THRATHRBESR1PGRCHRM2
SCHEMBL8618893 0.83 THRA (0.56) THRATHRBCHRM2ADRA2AADORA3
SCHEMBL8624400 0.83 THRA (0.49) THRATHRBESR1PGRCHRM2
SCHEMBL8623690 0.81 THRA (0.50) THRATHRBESR1PGRCHRM2
SCHEMBL8621630 0.80 THRA (0.53) THRATHRBCHRM2ADRA2AADORA3
SCHEMBL8624397 0.76 THRA (0.49) THRATHRBCHRM2ADRA2AADORA3
SCHEMBL8624417 0.76 THRA (0.48) THRATHRBESR1PGRCHRM2
SCHEMBL8624230 0.72 THRA (0.48) THRATHRB

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
US-5854282-A 3-benzoyl benzofuran derivatives as thyroid hormone antagonists KARO BIO AB (SE) 1998-12-29 — — US disclosed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 — — EP disclosed
EP-0775129-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1997-05-28 — — EP disclosed
WO-1996005190-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1996-02-22 — — WO disclosed
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