SCHEMBL8623584

SCHEMBL8623584

CC(C)c1oc2ccc(NS(=O)(=O)C(F)(F)F)cc2c1Cc1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.49
▸ THRB P10828 4/20 0.49
▸ MMP12 P39900 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ MAPT P10636 4/20 0.33
▸ TP53 P04637 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSPD1 P10809 1/20 0.32
▸ HSPE1 P61604 1/20 0.32
▸ HIF1A Q16665 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL8617759 0.87 HSPD1 (0.37) MMP12MMP13MAPTTP53HSPD1
SCHEMBL8666540 0.86 MMP12 (0.36) THRATHRBMMP12MMP13MAPT
SCHEMBL8624230 0.86 THRA (0.48) THRATHRBMMP12MMP13MAPT
SCHEMBL8624288 0.80 HSPD1 (0.39) MMP12MMP13MAPTTP53HSPD1
SCHEMBL8625007 0.79 THRB (0.34) THRATHRBMMP12MMP13MAPT
SCHEMBL8623799 0.78 MAPT (0.45) MAPTTP53HSPD1HSPE1KDM4E
SCHEMBL8666536 0.76 MAPT (0.34) MMP12MMP13MAPTTP53MEN1
SCHEMBL8620706 0.74 THRA (0.66) THRATHRBTP53HIF1AALDH1A1
SCHEMBL8625009 0.72 MMP12 (0.37) THRATHRBMMP12MMP13MAPT
SCHEMBL8624416 0.68 THRA (0.49) 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 6 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 claimed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 — — EP claimed
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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