SCHEMBL8617561

SCHEMBL8617561

COc1ccc(C(=O)Nc2ccc3oc(C(C)C)c(C(=O)c4cc(I)c(OCC(=O)O)c(I)c4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.47
▸ THRA P10827 2/20 0.47
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ TP53 P04637 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ PKM P14618 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39

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
SCHEMBL8617540 0.92 THRA (0.49) THRBTHRATP53ALDH1A1PTGS2
SCHEMBL8763724 0.91 THRA (0.49) THRBTHRAMAPTTP53SMN1; SMN2
SCHEMBL8624542 0.90 ASF1A (0.44) THRBMAPTNPC1RAB9ATP53
SCHEMBL8619949 0.88 THRA (0.45) THRBTHRAMAPTNPC1RAB9A
SCHEMBL8622612 0.87 THRB (0.37) THRBTHRAMAPTNPC1RAB9A
SCHEMBL8622615 0.86 MAPT (0.40) THRBMAPTNPC1RAB9ATP53
SCHEMBL8620054 0.85 THRA (0.65) THRBTHRA
SCHEMBL8618728 0.82 MAPT (0.39) THRBMAPTNPC1RAB9ATP53
SCHEMBL8618947 0.82 ASF1A (0.42) THRBTHRAMAPTPTGS2KMT2A
SCHEMBL8764593 0.82 SMN1; SMN2 (0.52) THRBTHRAMAPTNPC1RAB9A

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