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SCHEMBL7085220

SCHEMBL7085220

CCOC(=O)C(=O)Nc1cc(C)c(Cc2ccc3[nH]cc(C(C)C)c3c2)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 15/20 1.00
▸ THRB P10828 15/20 1.00
▸ GABRA1 P14867 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7085384 0.82 THRA (1.00) THRATHRB
SCHEMBL24188659 0.81 THRA (0.68) THRATHRBALDH1A1
SCHEMBL6863331 0.80 THRB (0.66) THRATHRBALDH1A1
SCHEMBL3147393 0.77 THRB (0.62) THRATHRB
SCHEMBL7084104 0.75 THRB (0.59) THRATHRB
SCHEMBL7085090 0.75 THRA (1.00) THRATHRB
SCHEMBL13382175 0.73 THRB (0.67) THRATHRB
SCHEMBL18781620 0.72 THRB (0.56) THRATHRB
SCHEMBL13381774 0.72 THRB (0.56) THRATHRB
SCHEMBL4960951 0.72 THRB (0.57) THRATHRB

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-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 — — EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 — — WO disclosed