SCHEMBL38650552

SCHEMBL38650552

CC(C)c1cc(Oc2c(Cl)cc(N)c3c2CCC3)nnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 8/20 0.37
▸ THRA P10827 8/20 0.37
▸ CYP2C9 P11712 1/20 0.32
▸ UGT1A1 P22309 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ SLCO1B1 Q9Y6L6 1/20 0.32

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
SCHEMBL21749548 1.00 THRB (0.37) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL22632722 0.95 THRB (0.33) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL29414847 0.95 THRB (0.33) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL30820597 0.79 THRB (0.39) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL13116309 0.79 THRB (0.39) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL23260638 0.79 THRB (0.37) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL21749505 0.79 THRB (0.35) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL38650551 0.79 THRB (0.35) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL21749525 0.78 THRB (0.59) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL22632552 0.77 THRB (0.40) THRBTHRACYP2C9UGT1A1ABCG2

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-B Thyroxine receptor beta agonist compounds 拓臻股份有限公司 2026-05-12 — — CN disclosed
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