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Sugi Predict / Compounds / SCHEMBL4531495

SCHEMBL4531495

SCHEMBL4531495

CCNc1cc(CF)cc(COc2c(Br)cc(CCC(=O)O)cc2Br)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 19/20 0.72
▸ THRA P10827 18/20 0.72
▸ ESR1 P03372 1/20 0.53
▸ NR3C1 P04150 1/20 0.53
▸ PGR P06401 1/20 0.53
▸ NR3C2 P08235 1/20 0.53
▸ AR P10275 1/20 0.53
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL4362345 0.89 THRB (0.72) THRBTHRAESR1NR3C1PGR
SCHEMBL4923097 0.89 THRB (0.72) THRBTHRAESR1NR3C1PGR
SCHEMBL4362409 0.87 THRB (0.74) THRBTHRAESR1NR3C1PGR
SCHEMBL4532725 0.87 THRB (0.74) THRBTHRAESR1NR3C1PGR
SCHEMBL4360360 0.86 THRA (0.69) THRBTHRAESR1NR3C1PGR
SCHEMBL4345721 0.84 THRB (0.69) THRBTHRAESR1NR3C1PGR
SCHEMBL4931391 0.81 THRB (0.62) THRBTHRAESR1NR3C1PGR
SCHEMBL4934044 0.81 THRB (0.62) THRBTHRAESR1NR3C1PGR
SCHEMBL4923163 0.81 THRB (0.62) THRBTHRAESR1NR3C1PGR
SCHEMBL4353660 0.79 THRB (0.69) THRBTHRAESR1NR3C1PGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 — — WO disclosed