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SCHEMBL5722801

SCHEMBL5722801

CC(C)C(=O)Nc1cc(Cl)cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)c1.CC(C)C(=O)Nc1cc(Cl)cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)c1.CC(C)C(=O)Nc1cc(F)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1.Cc1cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)cc(NC(=O)C(C)C)c1.Cc1cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)cc(NC(=O)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 14/20 0.41
▸ THRB P10828 14/20 0.41
▸ ESR1 P03372 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ AR P10275 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ FFAR1 O14842 3/20 0.32
▸ PTGER1 P34995 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ FFAR4 Q5NUL3 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
SCHEMBL5722495 0.86 THRA (0.37) THRATHRBFFAR1PTGER1KMT2A
SCHEMBL5118803 0.82 THRA (0.39) THRATHRBFFAR1PTGER1KMT2A
SCHEMBL5110048 0.82 THRA (0.40) THRATHRBFFAR1PTGER1KMT2A
SCHEMBL5717957 0.82 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL5104560 0.81 THRA (0.54) THRATHRBESR1NR3C1PGR
SCHEMBL5722751 0.81 THRB (0.34) THRATHRBFFAR1
SCHEMBL5119814 0.81 THRA (0.58) THRATHRBESR1NR3C1PGR
SCHEMBL5108065 0.81 THRA (0.61) THRATHRBESR1NR3C1PGR
SCHEMBL5722478 0.80 THRB (0.37) THRATHRBFFAR1PTGER1KMT2A
SCHEMBL5120064 0.80 THRA (0.46) THRATHRBPTGER1KMT2A

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-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 — — EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 — — WO disclosed