SCHEMBL7120194

SCHEMBL7120194

COc1cc(C)c(C(C)c2ccc(OC)c(C(C)C)c2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
THRA P10827 1/20 0.42
CYP2D6 P10635 3/20 0.41
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 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
SCHEMBL7368101 0.82 THRB (0.45) THRBTHRACYP2D6ADRA2AADRA1A
SCHEMBL6267801 0.81 THRA (0.62) THRBTHRACYP2D6ADRA2AADRA1A
SCHEMBL6267786 0.81 THRB (0.40) THRBTHRACYP2D6ADRA2AADRA1A
SCHEMBL6268323 0.80 THRB (0.39) THRBTHRACYP2D6ADRA2AADRA1A
SCHEMBL739698 0.76 HDAC4 (0.48) THRBCYP2D6ADRA2AADRA1AGAA
SCHEMBL13395132 0.73 CYP2D6 (0.42) THRBCYP2D6ADRA2AADRA1AGAA
SCHEMBL10360993 0.73 CYP2D6 (0.46) THRBCYP2D6ADRA2AADRA1AGAA
SCHEMBL487152 0.73 CYP2D6 (0.67) THRBCYP2D6ADRA2AADRA1AGAA
SCHEMBL6705742 0.72 CYP2D6 (0.45) THRBCYP2D6ADRA2AADRA1AGAA
SCHEMBL282378 0.72 AR (0.45) THRBCYP2D6ADRA2AADRA1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991618-B1 SELECTIVE THYROID HORMONE ANALOGS UNIV CALIFORNIA (US) 2003-11-12 EP disclosed
EP-0991618-A4 SELECTIVE THYROID HORMONE ANALOGS UNIV CALIFORNIA (US) 2000-09-27 EP disclosed
EP-0991618-A1 SELECTIVE THYROID HORMONE ANALOGS The Regents of the University of California (US) 2000-04-12 EP disclosed
US-5883294-A THYROID HORMONE AGONIST THE REGEANTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-03-16 US disclosed
WO-1998057919-A1 SELECTIVE THYROID HORMONE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-23 WO disclosed