SCHEMBL24041959

SCHEMBL24041959

C=C/C(Cl)=C(\C)Oc1cc(C(C)C)c(=O)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 19/20 0.44
▸ THRB P10828 19/20 0.44
▸ CYP2C9 P11712 2/20 0.38
▸ UGT1A1 P22309 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38
▸ CYP2C8 P10632 1/20 0.36

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
SCHEMBL12182692 0.71 THRA (0.50) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22643888 0.65 THRB (0.40) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22668218 0.64 THRB (0.67) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL12182720 0.64 THRB (0.46) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL15578029 0.64 THRB (0.80) THRATHRB
SCHEMBL22632428 0.63 THRA (0.66) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL21749523 0.63 THRA (0.67) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL2926289 0.63 THRB (0.67) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL21749414 0.63 THRA (0.67) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL14628110 0.62 THRA (0.83) 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
EP-3689853-B1 METHOD OF SYNTHESIZING THYROID HORMONE ANALOGS AND POLYMORPHS THEREOF MADRIGAL PHARMACEUTICALS INC (US) 2021-11-24 — — EP disclosed
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