SCHEMBL5722653

SCHEMBL5722653

CC(=O)Nc1cc(C)cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)c1.CC(=O)Nc1cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.41
THRB P10828 4/20 0.41
NR2E1 Q9Y466 2/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
PTGER1 P34995 2/20 0.36
FFAR4 Q5NUL3 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DHODH Q02127 2/20 0.33
FFAR1 O14842 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32

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
SCHEMBL5112643 0.95 THRA (0.44) THRATHRBNR2E1MRGPRX4MME
SCHEMBL5116750 0.92 THRB (0.42) THRATHRBPTGER1DHODHFFAR1
SCHEMBL5722658 0.92 THRA (0.39) THRATHRBNR2E1MRGPRX4MME
SCHEMBL5722697 0.88 THRA (0.46) THRATHRBMRGPRX4FFAR4FFAR1
SCHEMBL5119332 0.86 THRB (0.43) THRATHRBNR2E1MMEACE
SCHEMBL5107973 0.86 THRA (0.43) THRATHRBMRGPRX4MMEACE
SCHEMBL4930958 0.85 THRA (0.44) THRATHRBMRGPRX4MMEACE
SCHEMBL5110521 0.85 MRGPRX4 (0.39) NR2E1MRGPRX4MMEACECPA1
SCHEMBL4928651 0.85 THRB (0.46) THRATHRBMRGPRX4MMEACE
SCHEMBL5722513 0.84 THRA (0.35) THRATHRBNR2E1MRGPRX4MME

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