SCHEMBL8624230

SCHEMBL8624230

CC(C)c1oc2ccc(NS(=O)(=O)C(F)(F)F)cc2c1C(=O)c1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.48
▸ THRB P10828 3/20 0.48
▸ MAPT P10636 5/20 0.35
▸ TP53 P04637 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ESR2 Q92731 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ ABCB1 P08183 1/20 0.33

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
SCHEMBL8625009 0.86 MMP12 (0.37) THRATHRBMAPTTP53SMN1; SMN2
SCHEMBL8625007 0.86 THRB (0.34) THRATHRBMAPTTP53SMN1; SMN2
SCHEMBL8623584 0.86 THRA (0.49) THRATHRBMAPTTP53SMN1; SMN2
SCHEMBL8620706 0.84 THRA (0.66) THRATHRBTP53SMN1; SMN2MAPK1
SCHEMBL8763724 0.81 THRA (0.49) THRATHRBMAPTTP53SMN1; SMN2
SCHEMBL8617540 0.81 THRA (0.49) THRATHRBTP53MMP12MAPK1
SCHEMBL8617561 0.79 THRB (0.47) THRATHRBMAPTTP53SMN1; SMN2
SCHEMBL8619949 0.77 THRA (0.45) THRATHRBMAPTSMN1; SMN2MMP13
SCHEMBL8617962 0.77 THRA (0.52) THRATHRBTP53SMN1; SMN2MAPK1
SCHEMBL8666536 0.74 MAPT (0.34) MAPTTP53SMN1; SMN2POLBMMP12

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
Send feedback