SCHEMBL8619478

SCHEMBL8619478

CCCCc1oc2ccc(NC(=O)c3ccc(F)cc3)cc2c1C(=O)c1cc(I)c(OC(CC)C(=O)O)c(I)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.48
▸ THRB P10828 2/20 0.48
▸ ABCB1 P08183 2/20 0.46
▸ KDM5A P29375 7/20 0.46
▸ KDM4A O75164 3/20 0.46
▸ ING2 Q9H160 1/20 0.46
▸ SIRT3 Q9NTG7 4/20 0.45
▸ EYA3 Q99504 1/20 0.45
▸ KDM7A Q6ZMT4 2/20 0.44
▸ MLNR O43193 1/20 0.44
▸ CACNA1F O60840 1/20 0.44
▸ PHF2 O75151 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CHRM2 P08172 1/20 0.44

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
SCHEMBL8623692 0.92 THRA (0.47) THRATHRBABCB1KDM5AKDM4A
SCHEMBL8617598 0.88 THRA (0.51) THRATHRBABCB1KDM5AKDM4A
SCHEMBL8618732 0.87 THRA (0.66) THRATHRBABCB1KDM5AKDM4A
SCHEMBL8624417 0.83 THRA (0.48) THRATHRBABCB1KDM5AKDM4A
SCHEMBL8620718 0.82 SLC22A12 (0.45) ABCB11CHRM2ADRA2AADORA3CHRM1
SCHEMBL8618898 0.82 THRA (0.55) THRATHRBABCB1KDM5AKDM4A
SCHEMBL8619765 0.79 THRA (0.67) THRATHRBABCB1KDM5AKDM4A
SCHEMBL8621631 0.79 THRA (0.52) THRATHRBABCB1KDM5AKDM4A
SCHEMBL8620054 0.78 THRA (0.65) THRATHRBABCB1KDM5AKDM4A
SCHEMBL8622615 0.78 MAPT (0.40) THRBALDH1A1TP53CYP1A2NFKB1

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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