SCHEMBL4964432

SCHEMBL4964432

Cc1cc(CO[PH](=O)OCc2cc(C)c(Cc3ccc(O)c(C(C)C)c3)c(C)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.61
THRA P10827 18/20 0.61
ESR1 P03372 1/20 0.40
ESR2 Q92731 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
SCHEMBL1457899 0.82 THRB (0.68) THRBTHRAESR1ESR2
SCHEMBL328377 0.82 THRB (0.67) THRBTHRAESR1ESR2
SCHEMBL13703189 0.82 THRB (0.64) THRBTHRAESR1ESR2
SCHEMBL4203861 0.82 THRB (0.64) THRBTHRAESR1ESR2
SCHEMBL27733429 0.82 THRB (0.58) THRBTHRAESR1ESR2
SCHEMBL13381780 0.81 THRB (0.67) THRBTHRAESR1ESR2
SCHEMBL1457900 0.81 THRB (0.70) THRBTHRA
SCHEMBL27723475 0.81 THRB (0.59) THRBTHRAESR1ESR2
SCHEMBL3157044 0.81 THRB (0.69) THRBTHRA
SCHEMBL3155783 0.80 THRB (0.68) THRBTHRAESR1ESR2

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-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed