SCHEMBL8763724

SCHEMBL8763724

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.49
▸ THRB P10828 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SLC22A12 Q96S37 2/20 0.39
▸ ANO1 Q5XXA6 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTPN12 Q05209 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ ING2 Q9H160 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 0.91 THRB (0.47) THRATHRBKDM4EALDH1A1MAPT
SCHEMBL8617540 0.82 THRA (0.49) THRATHRBALDH1A1SLC22A12TP53
SCHEMBL8764634 0.81 NR1H4 (0.45) THRATHRBALDH1A1CYP2C9SLC22A12
SCHEMBL8624230 0.81 THRA (0.48) THRATHRBMAPTSMN1; SMN2TP53
SCHEMBL8624542 0.80 ASF1A (0.44) THRBKDM4EALDH1A1SLC22A12MAPT
SCHEMBL8622615 0.78 MAPT (0.40) THRBKDM4EALDH1A1SLC22A12MAPT
SCHEMBL8619949 0.78 THRA (0.45) THRATHRBMAPTSMN1; SMN2MEN1
SCHEMBL8617962 0.78 THRA (0.52) THRATHRBALDH1A1CYP2C9SMN1; SMN2
SCHEMBL8622612 0.78 THRB (0.37) THRATHRBKDM4EALDH1A1SLC22A12
SCHEMBL8622465 0.77 THRA (0.66) THRATHRBABCB1SIRT3KDM4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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