SCHEMBL8620718

SCHEMBL8620718

CCCCc1oc2ccc(NC(=O)c3ccc(OC)cc3)cc2c1C(=O)c1cc(Br)c(OC(CC)C(=O)O)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.45
▸ 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
▸ TTR P02766 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
SCHEMBL8623692 0.91 THRA (0.47) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL8622473 0.87 THRA (0.51) SLC22A12ESR1PGRCHRM2HTR1A
SCHEMBL8618731 0.87 MAPT (0.41) SLC22A12
SCHEMBL8619478 0.82 THRA (0.48) CHRM2ADRA2AADORA3CHRM1DRD1
SCHEMBL8620054 0.79 THRA (0.65) —
SCHEMBL8618658 0.79 THRA (0.53) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL8621571 0.79 TTR (0.48) SLC22A12TTR
SCHEMBL8617598 0.78 THRA (0.51) CHRM2ADRA2AADORA3CHRM1DRD1
SCHEMBL8622615 0.78 MAPT (0.40) SLC22A12
SCHEMBL8620714 0.77 THRA (0.45) ESR1PGRCHRM2HTR1AADRA2A

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-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
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