SCHEMBL28559669

SCHEMBL28559669

CC(C)c1cc(Cc2c(Cl)cc(NC(=O)OC(C)(C)C)cc2Cl)nn(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 14/20 0.47
▸ THRA P10827 14/20 0.47
▸ MAPK14 Q16539 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34

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
SCHEMBL28566363 0.84 PTGDR2 (0.42) THRBMAPK14PTGDR2PTGER1P2RX3
SCHEMBL21749540 0.83 THRB (0.51) THRBTHRA
SCHEMBL21749364 0.81 THRB (0.43) THRBTHRA
SCHEMBL28913436 0.81 THRB (0.62) THRBTHRAMAPK14
SCHEMBL28560603 0.81 THRB (0.64) THRBTHRA
SCHEMBL28561278 0.80 THRB (0.42) THRBTHRAMAPK14
SCHEMBL21749494 0.77 THRB (0.73) THRBTHRA
SCHEMBL21769842 0.77 THRA (0.49) THRBTHRA
SCHEMBL13116448 0.76 THRB (0.55) THRBTHRA
SCHEMBL21749557 0.76 THRA (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
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