SCHEMBL8621571

SCHEMBL8621571

CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1cc(Br)c(OC(CC)C(=O)O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.48
▸ SIRT3 Q9NTG7 3/20 0.46
▸ PTPN1 P18031 4/20 0.44
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ EYA3 Q99504 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ SLC22A12 Q96S37 2/20 0.40
▸ KDM4A O75164 2/20 0.40
▸ KDM5A P29375 2/20 0.40
▸ ING2 Q9H160 1/20 0.40
▸ KDM7A Q6ZMT4 1/20 0.39

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
SCHEMBL8621631 0.90 THRA (0.52) SIRT3THRATHRBEYA3KDM4A
SCHEMBL8619761 0.85 PTPN1 (0.42) PTPN1EYA3CYP2C19NR1H4SLC22A12
SCHEMBL8619555 0.84 TTR (0.69) TTRSIRT3PTPN1THRATHRB
SCHEMBL8624484 0.81 PTPN1 (0.47) TTRSIRT3PTPN1THRATHRB
SCHEMBL4891172 0.80 EYA3 (0.57) TTRSIRT3PTPN1THRATHRB
SCHEMBL8620718 0.79 SLC22A12 (0.45) TTRSLC22A12
SCHEMBL4274820 0.77 CA12 (0.48) TTRPTPN1EYA3
SCHEMBL6336686 0.77 PTPN1 (0.70) TTRSIRT3PTPN1THRATHRB
SCHEMBL6336688 0.77 PTPN1 (0.70) TTRSIRT3PTPN1THRATHRB
SCHEMBL8618726 0.77 EYA3 (0.68) TTRSIRT3PTPN1THRATHRB

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
Send feedback