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SCHEMBL5717890

SCHEMBL5717890

CC(C)Nc1cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)cc(C(F)(F)F)c1.CC(C)Nc1cc(COc2c(Cl)cc(CC(F)C(=O)O)cc2Cl)cc(C(F)(F)F)c1.CC(C)Nc1cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)cc(C(F)(F)F)c1.CC(C)Nc1cc(Cl)cc(COc2c(Cl)cc(CC(F)C(=O)O)cc2Cl)c1.CC(C)Nc1cc(Cl)cc(COc2c(Cl)cc(CCC(=O)O)cc2Cl)c1.Cc1cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)cc(NC(C)C)c1.Cc1cc(COc2c(Cl)cc(CC(F)C(=O)O)cc2Cl)cc(NC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 13/20 0.46
▸ THRB P10828 13/20 0.46
▸ 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
▸ FFAR4 Q5NUL3 4/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ MME P08473 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL5722697 0.93 THRA (0.46) THRATHRBESR1NR3C1PGR
SCHEMBL5718095 0.91 THRA (0.45) THRATHRBESR1NR3C1PGR
SCHEMBL5717725 0.88 MRGPRX4 (0.36) THRATHRBFFAR4FFAR1MRGPRX4
SCHEMBL5718157 0.87 THRA (0.37) THRATHRBFFAR4FFAR1MRGPRX4
SCHEMBL5718038 0.87 THRA (0.42) THRATHRBESR1NR3C1PGR
SCHEMBL5722513 0.86 THRA (0.35) THRATHRBFFAR4FFAR1MRGPRX4
SCHEMBL5722610 0.85 THRA (0.40) THRATHRBESR1NR3C1PGR
SCHEMBL5723849 0.85 THRA (0.38) THRATHRBMRGPRX4
SCHEMBL5722597 0.84 THRA (0.35) THRATHRBFFAR4FFAR1MRGPRX4
SCHEMBL5718744 0.84 THRA (0.38) 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