SCHEMBL8642132

SCHEMBL8642132

CCCCc1oc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2c1OCc1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.50
▸ THRB P10828 2/20 0.50
▸ SIRT3 Q9NTG7 2/20 0.42
▸ PTPN1 P18031 2/20 0.41

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
SCHEMBL8622465 0.87 THRA (0.66) THRATHRBSIRT3
SCHEMBL8642126 0.84 THRA (0.49) THRATHRBSIRT3PTPN1
SCHEMBL8621626 0.80 THRA (0.68) THRATHRBSIRT3
SCHEMBL8620054 0.80 THRA (0.65) THRATHRBSIRT3
SCHEMBL8624400 0.80 THRA (0.49) THRATHRBSIRT3
SCHEMBL8642130 0.74 THRA (0.50) THRATHRBSIRT3PTPN1
SCHEMBL8655206 0.74 THRA (0.71) THRATHRBSIRT3
SCHEMBL8619765 0.73 THRA (0.67) THRATHRBSIRT3
SCHEMBL8623690 0.72 THRA (0.50) THRATHRBSIRT3
SCHEMBL9422389 0.72 THRA (0.58) THRATHRBSIRT3

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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