SCHEMBL8622283

SCHEMBL8622283

CC(C)Cc1oc2ccc(N)cc2c1C(=O)c1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.56
▸ THRB P10828 4/20 0.56
▸ EYA3 Q99504 3/20 0.46
▸ KDM5A P29375 7/20 0.44
▸ KDM4A O75164 3/20 0.44
▸ ING2 Q9H160 1/20 0.44
▸ SIRT3 Q9NTG7 5/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ KDM7A Q6ZMT4 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ABCB11 O95342 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ DRD1 P21728 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ OPRM1 P35372 2/20 0.41

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
SCHEMBL8625157 0.85 THRA (0.77) THRATHRBEYA3KDM5AKDM4A
SCHEMBL6338508 0.72 THRA (0.73) THRATHRBEYA3KDM5AKDM4A
SCHEMBL3228984 0.72 THRA (1.00) THRATHRBEYA3KDM5AKDM4A
SCHEMBL8618898 0.72 THRA (0.55) THRATHRBEYA3KDM5AKDM4A
SCHEMBL8617962 0.71 THRA (0.52) THRATHRBEYA3KDM5AKDM4A
SCHEMBL8618893 0.71 THRA (0.56) THRATHRBEYA3KDM5AKDM4A
SCHEMBL15698032 0.71 EYA3 (0.84) THRATHRBEYA3CYP2C9ALDH1A1
SCHEMBL8655206 0.70 THRA (0.71) THRATHRBEYA3KDM5AKDM4A
SCHEMBL8763724 0.70 THRA (0.49) THRATHRBKDM5AKDM4AING2
SCHEMBL8620047 0.70 THRA (0.39) THRATHRBEYA3CYP2C9ALDH1A1

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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