SCHEMBL6553667

SCHEMBL6553667

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.49
THRA P10827 5/20 0.49
PPARG P37231 2/20 0.49
PCNA P12004 1/20 0.41
SLC7A5 Q01650 2/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
TTR P02766 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
PDE4D Q08499 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NR3C1 P04150 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2C9 P11712 1/20 0.40
TBXA2R P21731 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
SCHEMBL4809817 0.92 THRB (0.46) THRBTHRAPPARGPCNAPDCD1
SCHEMBL6554347 0.88 THRB (0.44) THRBTHRAPPARGPCNAPTPN1
SCHEMBL4818194 0.84 SLC7A5 (0.53) THRBTHRAPPARGPCNASLC7A5
SCHEMBL4812275 0.82 THRB (0.42) THRBTHRAPPARGPCNASLC7A5
SCHEMBL4810919 0.81 THRA (0.50) THRBTHRAPPARGPDCD1CD274
SCHEMBL188320 0.81 SLC7A5 (0.57) THRBSLC7A5MEN1KMT2ALMNA
SCHEMBL188321 0.81 SLC7A5 (0.57) THRBSLC7A5MEN1KMT2ALMNA
SCHEMBL2129884 0.81 SLC7A5 (0.57) THRBSLC7A5MEN1KMT2ALMNA
SCHEMBL4809787 0.80 PTPN1 (0.64) THRBTHRAPPARGSLC7A5PDCD1
SCHEMBL4899376 0.80 THRA (0.64) THRBTHRAPPARGSLC7A5PDCD1

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 claimed
WO-2002092550-A1 THYROID HORMONE RECEPTOR ANTAGONISTS FOR CARDIAC AND METABOLIC DISORDERS II KARO BIO AB (SE) 2002-11-21 WO claimed