SCHEMBL7368101

SCHEMBL7368101

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.45
THRA P10827 3/20 0.45
RORC P51449 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 2/20 0.39
TYR P14679 2/20 0.39
ACHE P22303 2/20 0.39
ABCB11 O95342 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 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
SCHEMBL7120194 0.82 THRB (0.42) THRBTHRARORCADRA2AADRA1A
SCHEMBL6267786 0.78 THRB (0.40) THRBTHRARORCADRA2AADRA1A
SCHEMBL6268323 0.77 THRB (0.39) THRBTHRARORCADRA2AADRA1A
SCHEMBL6267801 0.75 THRA (0.62) THRBTHRAADRA2AADRA1ACYP2D6
SCHEMBL739698 0.71 HDAC4 (0.48) THRBRORCADRA2AADRA1ACYP2D6
SCHEMBL3942938 0.70 PPARG (0.55) BCHETYRACHEPPARGPPARD
SCHEMBL7114452 0.70 THRB (0.50) THRBTHRARORCADRA2AADRA1A
SCHEMBL7114179 0.69 PTGS1 (0.50) GAATSHRMAPTHPGDCYP3A4
SCHEMBL6866214 0.68 THRB (0.40) THRBTHRARORCMEN1KMT2A
SCHEMBL13395132 0.68 CYP2D6 (0.42) THRBRORCADRA2AADRA1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1998057919-A1 SELECTIVE THYROID HORMONE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-23 WO disclosed