SCHEMBL28560601

SCHEMBL28560601

CC(C)c1cc(C(=O)c2c(Cl)c[c]cc2Cl)nn(C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.56
THRA P10827 14/20 0.54
CRHR1 P34998 1/20 0.31

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
SCHEMBL21749554 0.85 THRB (0.59) THRBTHRACRHR1
SCHEMBL28912595 0.80 THRB (0.54) THRBTHRACRHR1
SCHEMBL21840342 0.79 THRB (0.54) THRBTHRA
SCHEMBL21749368 0.79 THRB (0.65) THRBTHRA
SCHEMBL21749357 0.77 THRB (0.52) THRBTHRA
SCHEMBL21840291 0.76 THRB (0.55) THRBTHRA
SCHEMBL21749551 0.76 THRB (0.49) THRBTHRA
SCHEMBL21840288 0.76 THRB (0.55) THRBTHRA
SCHEMBL28913436 0.76 THRB (0.62) THRBTHRA
SCHEMBL21749553 0.75 THRB (0.58) THRBTHRA

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
CN-112805005-A Thyroxine receptor beta agonist compounds 拓臻股份有限公司 2021-05-14 CN disclosed