SCHEMBL6554347

SCHEMBL6554347

NC(Cc1cc(Br)c(OCc2cc(F)cc(OC(F)(F)F)c2)c(Br)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.44
THRA P10827 5/20 0.44
PPARG P37231 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
PTPN1 P18031 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
PCNA P12004 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
TTR P02766 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
PDE4D Q08499 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NR3C1 P04150 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2C9 P11712 1/20 0.36
TBXA2R P21731 1/20 0.36
NTSR1 P30989 1/20 0.36

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
SCHEMBL4812275 0.93 THRB (0.42) THRBTHRAPPARGMRGPRX4PTPN1
SCHEMBL6553667 0.88 THRB (0.49) THRBTHRAPPARGPTPN1PCNA
SCHEMBL4809817 0.81 THRB (0.46) THRBTHRAPPARGPCNAMEN1
SCHEMBL4808246 0.79 THRA (0.46) THRBTHRAPPARGMRGPRX4NR3C1
SCHEMBL4818194 0.76 SLC7A5 (0.53) THRBTHRAPPARGPCNAMEN1
SCHEMBL4808172 0.74 THRA (0.67) THRBTHRAMRGPRX4FFAR4NR3C1
SCHEMBL4810919 0.73 THRA (0.50) THRBTHRAPPARGNR3C1PGR
SCHEMBL4809787 0.72 PTPN1 (0.64) THRBTHRAPPARGPTPN1MEN1
SCHEMBL4899376 0.71 THRA (0.64) THRBTHRAPPARGFFAR4NR3C1
SCHEMBL4812326 0.71 THRA (0.64) THRBTHRAPPARGFFAR4NR3C1

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
EP-1387825-A1 THYROID HORMONE RECEPTOR ANTAGONISTS FOR CARDIAC & METABOLIC DISORDERS II KARO BIO AB (SE) 2004-02-11 EP disclosed
WO-2002092550-A1 THYROID HORMONE RECEPTOR ANTAGONISTS FOR CARDIAC AND METABOLIC DISORDERS II KARO BIO AB (SE) 2002-11-21 WO disclosed