SCHEMBL5717873

SCHEMBL5717873

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)Nc1cccc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.48
THRB P10828 12/20 0.48
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HSPH1 Q92598 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
FFAR1 O14842 2/20 0.34
MRGPRX4 Q96LA9 2/20 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
SCHEMBL5717855 0.92 THRA (0.41) THRATHRBESR1NR3C1PGR
SCHEMBL4364107 0.88 THRA (0.48) THRATHRBESR1NR3C1PGR
SCHEMBL4931455 0.85 THRA (0.41) THRATHRBPPARDPPARGMRGPRX4
SCHEMBL4923379 0.84 SMN1; SMN2 (0.38) THRATHRBMRGPRX4
SCHEMBL5718176 0.83 THRA (0.39) THRATHRBESR1NR3C1PGR
SCHEMBL4348531 0.82 THRA (0.58) THRATHRBESR1NR3C1PGR
SCHEMBL4934638 0.82 THRA (0.60) THRATHRBESR1NR3C1PGR
SCHEMBL4364113 0.80 THRA (0.40) THRATHRBMRGPRX4
SCHEMBL4933436 0.79 MRGPRX4 (0.40) MRGPRX4
SCHEMBL4934248 0.78 THRA (0.44) THRATHRBMRGPRX4

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