SCHEMBL8617962

SCHEMBL8617962

CC(C)c1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.52
▸ THRB P10828 4/20 0.52
▸ HTT P42858 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ KDM5A P29375 6/20 0.35
▸ KDM4A O75164 3/20 0.35
▸ ING2 Q9H160 1/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35
▸ EYA3 Q99504 1/20 0.34
▸ ABCB1 P08183 2/20 0.34

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
SCHEMBL8619949 0.88 THRA (0.45) THRATHRBHTTLMNAMAPK1
SCHEMBL8623751 0.85 HTT (0.51) HTTLMNAMAPK1TDP1L3MBTL1
SCHEMBL8619759 0.79 HTT (0.35) THRATHRBHTTLMNAMAPK1
SCHEMBL8763724 0.78 THRA (0.49) THRATHRBCYP2C9KDM5AKDM4A
SCHEMBL8624371 0.77 HTT (0.63) HTTLMNAMAPK1TDP1L3MBTL1
SCHEMBL8624230 0.77 THRA (0.48) THRATHRBMAPK1TDP1L3MBTL1
SCHEMBL8617561 0.76 THRB (0.47) THRATHRBHTTLMNANPC1
SCHEMBL8623723 0.76 EYA3 (0.56) THRBHTTLMNAMAPK1TDP1
SCHEMBL8617571 0.76 HTT (0.64) HTTLMNAMAPK1TDP1L3MBTL1
SCHEMBL8619761 0.75 PTPN1 (0.42) HTTLMNAMAPK1TDP1L3MBTL1

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
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