SCHEMBL8621007

SCHEMBL8621007

CCc1c(Br)cc(C(=O)c2c(C(C)C)oc3ccc(N)cc23)c(OCC(=O)O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.36
▸ THRA P10827 4/20 0.33
▸ THRB P10828 4/20 0.33
▸ SLC22A12 Q96S37 4/20 0.33
▸ EYA3 Q99504 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PTPN1 P18031 2/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL8619759 0.86 HTT (0.35) NR1H4THRATHRBSLC22A12EYA3
SCHEMBL8624478 0.86 THRB (0.43) NR1H4THRATHRBSLC22A12EYA3
SCHEMBL8620047 0.84 THRA (0.39) NR1H4THRATHRBSLC22A12EYA3
SCHEMBL8618728 0.81 MAPT (0.39) THRBSLC22A12KDM4EPTPN1ALDH1A1
SCHEMBL8621568 0.72 THRA (0.47) NR1H4THRATHRBPTPN1
SCHEMBL8621011 0.72 PTPN1 (0.44) NR1H4THRBSLC22A12EYA3PTPN1
SCHEMBL8618893 0.69 THRA (0.56) THRATHRBEYA3ALDH1A1LMNA
SCHEMBL8764634 0.69 NR1H4 (0.45) NR1H4THRATHRBSLC22A12EYA3
SCHEMBL8625007 0.68 THRB (0.34) THRATHRB
SCHEMBL8620714 0.68 THRA (0.45) THRATHRB

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
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
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