SCHEMBL7073301

SCHEMBL7073301

CCOC(=O)/C=C/c1cc(Br)c(Oc2ccc(OC)c(C(C)C)c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.48
THRA P10827 6/20 0.48
TNFRSF1A P19438 1/20 0.48
FDPS P14324 1/20 0.48
MAOB P27338 1/20 0.47
ESR1 P03372 2/20 0.47
RORC P51449 2/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL7073304 1.00 THRB (0.48) THRBTHRATNFRSF1AFDPSMAOB
SCHEMBL282456 0.90 FDPS (0.50) THRBTHRAFDPSMAOBESR1
SCHEMBL2170309 0.85 THRB (0.46) THRBTHRATNFRSF1ARORCLMNA
SCHEMBL16496217 0.85 THRB (0.46) THRBTHRATNFRSF1ARORCLMNA
SCHEMBL16496152 0.82 THRB (0.46) THRBTHRATNFRSF1ARORCKDM4E
SCHEMBL2172723 0.82 THRB (0.46) THRBTHRATNFRSF1ARORCKDM4E
SCHEMBL2171186 0.81 THRB (0.44) THRBTHRATNFRSF1ARORCLMNA
SCHEMBL16495821 0.81 THRB (0.44) THRBTHRATNFRSF1ARORCLMNA
SCHEMBL2169387 0.80 THRB (0.44) THRBTHRATNFRSF1ARORCLMNA
SCHEMBL8892251 0.80 THRB (0.51) THRBTHRARORC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000008-B1 NOVEL THYROID RECEPTOR LIGANDS AND METHOD KAROBIO AB (SE) 2003-06-25 EP disclosed