SCHEMBL8624478

SCHEMBL8624478

CCCc1oc2ccc(N)cc2c1C(=O)c1cc(Br)c(CC)c(Br)c1OCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.43
▸ THRA P10827 2/20 0.43
▸ NR1H4 Q96RI1 4/20 0.40
▸ SLC22A12 Q96S37 5/20 0.37
▸ EYA3 Q99504 3/20 0.37
▸ CYP2C19 P33261 3/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ TTR P02766 2/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.34
▸ EYA2 O00167 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ PLIN1 O60240 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALB P02768 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
SCHEMBL8621007 0.86 NR1H4 (0.36) THRBTHRANR1H4SLC22A12EYA3
SCHEMBL8621568 0.82 THRA (0.47) THRBTHRANR1H4PTPN1TTR
SCHEMBL8618893 0.79 THRA (0.56) THRBTHRAEYA3CYP2C9SIRT3
SCHEMBL8620714 0.77 THRA (0.45) THRBTHRASIRT3ABCB11ESR1
SCHEMBL8625157 0.73 THRA (0.77) THRBTHRAEYA3CYP2C9SIRT3
SCHEMBL8619759 0.73 HTT (0.35) THRBTHRANR1H4SLC22A12EYA3
SCHEMBL8624484 0.71 PTPN1 (0.47) THRBTHRANR1H4SLC22A12EYA3
SCHEMBL8620047 0.70 THRA (0.39) THRBTHRANR1H4SLC22A12EYA3
SCHEMBL8618728 0.69 MAPT (0.39) THRBSLC22A12PTPN1ALDH1A1CYP1A2
SCHEMBL6344860 0.68 NR1H4 (0.61) THRBTHRANR1H4SLC22A12EYA3

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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