SCHEMBL4964413

SCHEMBL4964413

Cc1cc(C(=O)OP(C)(=O)OC(=O)c2cc(C)c(Cc3ccc(O)c(Cc4ccccc4)c3)c(C)c2)cc(C)c1Cc1ccc(O)c(Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.47
THRB P10828 12/20 0.47
SLC7A5 Q01650 1/20 0.44
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HNF4A P41235 1/20 0.39
IDH1 O75874 1/20 0.37
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL27666494 0.92 THRA (0.48) THRATHRBSLC7A5OPRK1MEN1
SCHEMBL282654 0.83 THRA (0.50) THRATHRBSLC7A5OPRK1MEN1
SCHEMBL12824842 0.78 MEN1 (0.51) THRATHRBSLC7A5OPRK1MEN1
SCHEMBL13381672 0.78 THRA (0.44) THRATHRBSLC7A5OPRK1MEN1
SCHEMBL25856594 0.78 THRB (0.67) THRATHRBSLC7A5OPRK1MEN1
SCHEMBL282342 0.78 THRA (0.47) THRATHRBSLC7A5OPRK1MEN1
SCHEMBL22071776 0.77 THRB (0.62) THRATHRBSLC7A5OPRK1MEN1
SCHEMBL281929 0.77 THRA (0.63) THRATHRBSLC7A5OPRK1MEN1
Vk-0214 SCHEMBL283442 0.76 THRB (0.79) THRATHRBSLC7A5OPRK1MEN1
SCHEMBL29373597 0.76 THRB (0.69) THRATHRBSLC7A5

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