SCHEMBL28564477

SCHEMBL28564477

CC(C)c1cc(Cc2c(Cl)c[c]cc2Cl)n[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 20/20 0.65
THRA P10827 19/20 0.65
CYP2C9 P11712 2/20 0.35
CYP2C8 P10632 1/20 0.35
UGT1A1 P22309 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SLCO1B1 Q9Y6L6 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
SCHEMBL2922891 0.84 THRB (0.68) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL2929101 0.84 THRB (0.68) THRBTHRA
SCHEMBL13116434 0.84 THRB (0.72) THRBTHRA
SCHEMBL2927246 0.82 THRB (0.72) THRBTHRA
SCHEMBL2923639 0.82 THRB (0.76) THRBTHRA
SCHEMBL2930008 0.81 THRB (0.68) THRBTHRACYP2C9CYP2C8
SCHEMBL13116388 0.80 THRB (0.73) THRBTHRA
SCHEMBL13116387 0.80 THRB (0.69) THRBTHRA
SCHEMBL13116390 0.79 THRB (0.65) THRBTHRACYP2C9CYP2C8
SCHEMBL2928572 0.79 THRB (1.00) 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