SCHEMBL4963440

SCHEMBL4963440

CCCc1cc(Cc2c(C)cc(CCP(=O)(O)O)cc2C)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.66
THRB P10828 12/20 0.66
ALOX5 P09917 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
BACE1 P56817 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL283169 0.92 THRA (0.69) THRATHRBESR1ESR2BACE1
SCHEMBL281929 0.85 THRA (0.63) THRATHRB
SCHEMBL13381677 0.85 THRA (0.61) THRATHRBESR1ESR2BACE1
SCHEMBL3153210 0.84 THRA (0.62) THRATHRBESR1ESR2CNR2
SCHEMBL4964401 0.82 THRA (0.48) THRATHRBALOX5ESR1ESR2
SCHEMBL13946904 0.82 THRA (0.58) THRATHRBESR1ESR2BACE1
SCHEMBL283584 0.80 THRB (0.82) THRATHRBESR1ESR2
SCHEMBL282249 0.80 THRB (1.00) THRATHRB
SCHEMBL21291330 0.78 THRA (0.64) THRATHRBESR1ESR2GRIN2D
SCHEMBL4962366 0.78 THRB (0.69) THRATHRBALOX5BACE1

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