SCHEMBL8624484

SCHEMBL8624484

CCCc1oc2ccc(N)cc2c1C(=O)c1cc(Br)c(OC(CC)C(=O)O)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.47
▸ CYP2C19 P33261 2/20 0.45
▸ TTR P02766 2/20 0.44
▸ SLC22A12 Q96S37 4/20 0.44
▸ EYA3 Q99504 2/20 0.44
▸ NR1H4 Q96RI1 4/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ CYP2C9 P11712 3/20 0.41
▸ THRB P10828 2/20 0.40
▸ EYA2 O00167 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ PLIN1 O60240 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ ESR1 P03372 1/20 0.40

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
SCHEMBL8621011 0.86 PTPN1 (0.44) PTPN1CYP2C19TTRSLC22A12EYA3
SCHEMBL8618898 0.83 THRA (0.55) EYA3SIRT3CYP2C9THRBMEN1
SCHEMBL8621571 0.81 TTR (0.48) PTPN1CYP2C19TTRSLC22A12EYA3
SCHEMBL8620718 0.76 SLC22A12 (0.45) TTRSLC22A12ABCB11ESR1PGR
SCHEMBL8620052 0.74 CYP2C9 (0.38) PTPN1TTREYA3SIRT3CYP2C9
SCHEMBL6336688 0.74 PTPN1 (0.70) PTPN1CYP2C19TTREYA3NR1H4
SCHEMBL6336686 0.74 PTPN1 (0.70) PTPN1CYP2C19TTREYA3NR1H4
SCHEMBL8619761 0.72 PTPN1 (0.42) PTPN1CYP2C19SLC22A12EYA3NR1H4
SCHEMBL8624478 0.71 THRB (0.43) PTPN1CYP2C19TTRSLC22A12EYA3
SCHEMBL8621631 0.70 THRA (0.52) EYA3SIRT3CYP2C9THRBMEN1

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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