SCHEMBL4466538

SCHEMBL4466538

CCCc1ccccc1OO.CCc1ccccc1OO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARD Q03181 1/20 0.44
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
NISCH Q9Y2I1 1/20 0.41
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL10891808 0.96 PPARD (0.44) MAPTL3MBTL1NPSR1PPARDTHRA
SCHEMBL3918964 0.94 PPARD (0.44) PPARDTHRATHRBLTB4RLTB4R2
SCHEMBL216250 0.90 L3MBTL1 (0.53) MAPTL3MBTL1NPSR1ADRA2AADRA2B
SCHEMBL243910 0.82 THRA (0.50) THRATHRBTAAR1
SCHEMBL1839978 0.81 THRA (0.50) MAPTL3MBTL1NPSR1PPARDTHRA
Propene SCHEMBL9640321 0.81 L3MBTL1 (0.46) MAPTL3MBTL1NPSR1THRATHRB
SCHEMBL15515421 0.79 THRA (0.59) MAPTTHRATHRBADRA2A
SCHEMBL27305174 0.79 THRA (0.59) MAPTTHRATHRBADRA2A
SCHEMBL29768288 0.79 THRA (0.59) MAPTTHRATHRBADRA2A
SCHEMBL17026716 0.78 TAAR1 (0.48) PPARDTHRATHRBLTB4RLTB4R2

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-2009080342-A1 PURIFICATION OF CUMENE BOREALIS TECHNOLOGY OY (FI) 2009-07-02 WO disclosed