SCHEMBL8617540

SCHEMBL8617540

CC(C)c1oc2ccc(NC(=O)c3ccc(O)cc3)cc2c1C(=O)c1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.49
▸ THRB P10828 3/20 0.49
▸ MMP12 P39900 1/20 0.38
▸ SNCA P37840 2/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ SLC22A12 Q96S37 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ EYA3 Q99504 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ ASF1A Q9Y294 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL8617561 0.92 THRB (0.47) THRATHRBPTGS2TP53ALDH1A1
SCHEMBL8619949 0.90 THRA (0.45) THRATHRBPTGS2MAPK1MEN1
SCHEMBL8618947 0.90 ASF1A (0.42) THRATHRBSNCAPTGS2SLC22A12
SCHEMBL8619765 0.85 THRA (0.67) THRATHRBMAPK1EYA3TP53
SCHEMBL8763724 0.82 THRA (0.49) THRATHRBSLC22A12TP53MEN1
SCHEMBL8624542 0.82 ASF1A (0.44) THRBSLC22A12TP53ASF1AALDH1A1
SCHEMBL8624230 0.81 THRA (0.48) THRATHRBMMP12MAPK1TP53
SCHEMBL8622612 0.80 THRB (0.37) THRATHRBSLC22A12TP53ALDH1A1
SCHEMBL8764634 0.79 NR1H4 (0.45) THRATHRBSLC22A12MAPK1EYA3
SCHEMBL8622615 0.78 MAPT (0.40) THRBMMP12PTGS2SLC22A12TP53

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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