SCHEMBL30970995

SCHEMBL30970995

CC(C)c1cc(Oc2c(Cl)cc(-n3ccc(=O)[nH]c3=O)cc2Cl)n[nH]c1=O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 19/20 0.70
▸ THRB P10828 19/20 0.70
▸ CYP2C9 P11712 2/20 0.63
▸ UGT1A1 P22309 1/20 0.63
▸ ABCG2 Q9UNQ0 1/20 0.63
▸ SLCO1B1 Q9Y6L6 1/20 0.63
▸ CYP2C8 P10632 1/20 0.60

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
SCHEMBL2924045 0.82 THRA (1.00) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL23245130 0.81 THRA (0.68) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032592 0.79 THRA (0.81) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL23441631 0.78 THRA (0.80) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL16919814 0.78 THRA (0.68) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL2925261 0.77 THRA (0.62) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30820657 0.77 THRA (0.62) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL23420796 0.77 THRA (0.78) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL13907340 0.77 THRB (1.00) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL2926289 0.77 THRB (0.67) THRATHRBCYP2C9UGT1A1ABCG2

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-113045551-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2024-07-09 — — CN disclosed
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