SCHEMBL8617759

SCHEMBL8617759

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSPD1 P10809 1/20 0.37
▸ HSPE1 P61604 1/20 0.37
▸ MMP12 P39900 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 3/20 0.33
▸ MAPT P10636 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ SIRT5 Q9NXA8 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
SCHEMBL8624288 0.89 HSPD1 (0.39) HSPD1HSPE1MMP12MMP13PTPN11
SCHEMBL8623584 0.87 THRA (0.49) HSPD1HSPE1MMP12MMP13SMN1; SMN2
SCHEMBL8666540 0.85 MMP12 (0.36) HSPD1HSPE1MMP12MMP13SMN1; SMN2
SCHEMBL8623799 0.82 MAPT (0.45) HSPD1HSPE1SMN1; SMN2MAPTTP53
SCHEMBL8666536 0.72 MAPT (0.34) HSPD1HSPE1MMP12MMP13SMN1; SMN2
SCHEMBL8624230 0.71 THRA (0.48) MMP12MMP13SMN1; SMN2MAPK1MAPT
SCHEMBL8625009 0.69 MMP12 (0.37) MMP12MMP13SMN1; SMN2MAPK1HIF1A
SCHEMBL8625007 0.68 THRB (0.34) MMP12MMP13SMN1; SMN2HIF1AMAPT
SCHEMBL8889154 0.66 ACP1 (0.41) CYP3A4
SCHEMBL3155581 0.60 PTPN1 (0.63) HSPD1HSPE1PTPN11SMN1; SMN2MAPK1

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
Send feedback