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Sugi Predict / Compounds / SCHEMBL5717855

SCHEMBL5717855

SCHEMBL5717855

CCC(C)Nc1cc(C)cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)c1.CCC(C)Nc1cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)cc(C(F)(F)F)c1.CCC(C)Nc1cc(COc2c(Br)cc(CCC(=O)O)cc2Br)cc(C(F)(F)F)c1.CCC(C)Nc1cc(Cl)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1.CCC(C)Nc1cc(Cl)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1.CCC(C)Nc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 11/20 0.41
▸ THRB P10828 11/20 0.41
▸ ESR1 P03372 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AR P10275 1/20 0.33
▸ HSPH1 Q92598 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ FFAR4 Q5NUL3 2/20 0.31
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL5717873 0.92 THRA (0.48) THRATHRBESR1NR3C1PGR
SCHEMBL5718176 0.87 THRA (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL5717937 0.87 THRA (0.44) THRATHRBESR1NR3C1PGR
SCHEMBL4364107 0.87 THRA (0.48) THRATHRBESR1NR3C1PGR
SCHEMBL5718276 0.82 THRA (0.37) THRATHRB
SCHEMBL5723427 0.81 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL5717915 0.81 THRA (0.36) THRATHRB
SCHEMBL5722848 0.80 THRA (0.35) THRATHRB
SCHEMBL5718038 0.80 THRA (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5717710 0.80 THRA (0.32) 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-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 — — EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 — — WO disclosed