SCHEMBL8622612

SCHEMBL8622612

CCc1c(I)cc(C(=O)c2c(C(C)C)oc3ccc(NC(=O)c4ccc(OC)cc4)cc23)c(OCC(=O)O)c1I

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HPSE Q9Y251 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 3/20 0.35
▸ THRA P10827 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 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
SCHEMBL8623690 0.87 THRA (0.50) THRBTHRA
SCHEMBL8617561 0.87 THRB (0.47) THRBMAPTNPC1ALDH1A1KDM4E
SCHEMBL8618728 0.87 MAPT (0.39) THRBMAPTNPC1ALDH1A1KDM4E
SCHEMBL8624542 0.82 ASF1A (0.44) THRBMAPTNPC1ALDH1A1KDM4E
SCHEMBL8620047 0.81 THRA (0.39) THRBALDH1A1KDM4ESLC22A12THRA
SCHEMBL8625007 0.81 THRB (0.34) THRBMAPTTP53THRASMN1; SMN2
SCHEMBL8617540 0.80 THRA (0.49) THRBALDH1A1SLC22A12TP53THRA
SCHEMBL8624400 0.80 THRA (0.49) THRBTHRA
SCHEMBL8619474 0.79 THRA (0.51) THRBTHRA
SCHEMBL8763724 0.78 THRA (0.49) THRBMAPTALDH1A1KDM4ESLC22A12

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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