SCHEMBL5319244

SCHEMBL5319244

CCCCCCCCCCCOCCOCCOCCS

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
THRB P10828 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 1/20 0.60
CES2 O00748 2/20 0.45
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.41
CES1 P23141 1/20 0.41
SPHK1 Q9NYA1 1/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37

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
SCHEMBL5932964 0.97 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL5933222 0.97 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL5678809 0.97 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL5932642 0.97 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL21951531 0.97 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL11352760 0.97 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL5933515 0.97 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL1402539 0.97 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL1402505 0.97 THRB (0.56) HTTTHRBMEN1KMT2AMAPT
SCHEMBL1402330 0.95

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-2007133714-A2 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2007-11-22 WO disclosed