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Sugi Predict / Compounds / Alanine

Alanine

Alanine

SCHEMBL5073607

C[C@H](N)C(=O)O.Cc1nnc2ccc(Oc3c(Br)cc(C(=O)NCC(=O)O)cc3Br)cc2c1C

nearest known ligand 0.41

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 13/20 0.41
▸ THRA P10827 7/20 0.41
▸ EGLN1 Q9GZT9 6/20 0.38
▸ BBOX1 O75936 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ ASPH Q12797 1/20 0.38
▸ KDM8 Q8N371 1/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ GRM4 Q14833 1/20 0.35

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
Alanine SCHEMBL5073599 1.00 THRB (0.41) THRBTHRAEGLN1BBOX1SLC6A2
SCHEMBL3137311 0.94 THRB (0.42) THRBTHRAEGLN1BBOX1SLC6A2
SCHEMBL5073611 0.88 GRM4 (0.34) THRBTHRAEGLN1BBOX1SLC6A2
SCHEMBL3140412 0.81 THRA (0.45) THRBTHRAGRM4
SCHEMBL3140401 0.81 THRA (0.45) THRBTHRAGRM4
SCHEMBL3141209 0.77 THRB (0.46) THRBTHRAEGLN1BBOX1SLC6A2
SCHEMBL3131333 0.74 THRA (0.39) THRBTHRAGRM4
SCHEMBL3137145 0.74 THRB (0.41) THRBTHRAEGLN1BBOX1SLC6A2
SCHEMBL3138206 0.73 THRB (0.42) THRBTHRAEGLN1BBOX1SLC6A2
SCHEMBL4299815 0.72 THRB (0.45) THRBTHRAEGLN1

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
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 — — EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 — — WO disclosed