SCHEMBL5289804

SCHEMBL5289804

Cc1ccccc1OC(C)Oc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.44
PPARG P37231 3/20 0.44
SLC6A4 P31645 5/20 0.43
HTR2A P28223 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.38
AR P10275 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
TSHR P16473 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 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
SCHEMBL5289687 0.86 HPGD (0.41) SLC6A4HTR2AL3MBTL1ARNISCH
SCHEMBL5279276 0.85 SLC6A2 (0.42) SLC6A4HTR2AL3MBTL1NISCHSLC6A2
SCHEMBL5296630 0.84 L3MBTL1 (0.49) PPARAPPARGL3MBTL1POLBAR
SCHEMBL1592873 0.83 NISCH (0.47) SLC6A4HTR2AL3MBTL1NISCHSLC6A2
SCHEMBL5289693 0.81 PPARG (0.49) PPARAPPARGSLC6A4L3MBTL1POLB
SCHEMBL6556332 0.81 L3MBTL1 (0.53) PPARAPPARGSLC6A4L3MBTL1POLB
SCHEMBL8671066 0.80 NQO1 (0.45) SLC6A4L3MBTL1SLC6A2SLC6A3TSHR
SCHEMBL5294138 0.80 MAPT (0.39) SLC6A4HTR2AL3MBTL1NISCHSLC6A2
SCHEMBL12653055 0.76 HTR2A (0.54) SLC6A4HTR2AL3MBTL1ARSLC6A2
SCHEMBL4207754 0.75 AR (0.69) ARTSHR

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
WO-2006138653-A9 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORP (US) 2007-03-01 WO disclosed
WO-2006138653-A1 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORPORATION (US) 2006-12-28 WO disclosed