SCHEMBL31534690

SCHEMBL31534690

CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C(=O)O)c(=O)[nH]c3=O)c3c2CC3)n[nH]c1=O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 19/20 0.76
▸ THRB P10828 19/20 0.64
▸ CYP2C9 P11712 2/20 0.56
▸ UGT1A1 P22309 1/20 0.56
▸ ABCG2 Q9UNQ0 1/20 0.56
▸ SLCO1B1 Q9Y6L6 1/20 0.56
▸ CYP2C8 P10632 1/20 0.54

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
SCHEMBL22633113 1.00 THRA (0.76) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL29414735 0.88 THRA (0.61) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22632595 0.88 THRA (0.61) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22632636 0.88 THRA (0.76) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22633126 0.88 THRB (0.73) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL29414836 0.88 THRB (0.73) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL2921588 0.86 THRA (1.00) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22632992 0.85 THRA (0.75) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL29414780 0.85 THRA (0.75) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22632496 0.84 THRA (0.91) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036699-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2026-05-15 — — CN disclosed
EP-4523692-A2 MODULATORS OF THR-SS AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2025-03-19 — — EP disclosed
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