SCHEMBL5718115

SCHEMBL5718115

Cc1cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c(F)c(NCC2CC2)c1.O=C(O)C(F)Cc1cc(Br)c(OCc2cc(Cl)cc(NC3CCC3)c2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.38
THRB P10828 15/20 0.38
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
PTGES O14684 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
SCHEMBL5718120 0.90 THRA (0.31) THRATHRB
SCHEMBL4926378 0.83 THRA (0.51) THRATHRBESR1NR3C1PGR
SCHEMBL5718054 0.82 MEN1 (0.38) THRATHRB
SCHEMBL5717875 0.82 THRA (0.33) THRATHRB
SCHEMBL5717762 0.81 THRA (0.34) THRATHRBPTGES
SCHEMBL5717844 0.81 THRA (0.36) THRATHRBESR1NR3C1PGR
SCHEMBL4934402 0.81 THRA (0.38) THRATHRBESR1NR3C1PGR
SCHEMBL5718056 0.80 THRA (0.36) THRATHRBESR1NR3C1PGR
SCHEMBL4931367 0.80 THRA (0.51) THRATHRBESR1NR3C1PGR
SCHEMBL5718046 0.79 THRA (0.36) 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