SCHEMBL2051083

SCHEMBL2051083

CCCCc1ccccc1-c1ccc2c(c1)[CH]c1cc(-c3ccccc3CCCC)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.41
GPR3 P46089 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
TLR8 Q9NR97 2/20 0.36
PTGER1 P34995 2/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
TRPA1 O75762 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TYR P14679 1/20 0.34
ADRA2C P18825 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL2046637 0.90 PPARA (0.43) PPARAPTGER1PTGER4PTGER3PTGER2
SCHEMBL2044259 0.83 TRPA1 (0.49) PPARAPTGER1PTGER4PTGER3PTGER2
SCHEMBL1904312 0.79 NPC1 (0.40) PPARAGPR3NR1H2NR1H3LIPG
SCHEMBL15391163 0.78 PPARA (0.49) PPARANR1H2NR1H3LIPGPTGER1
SCHEMBL28804323 0.78 PPARA (0.49) PPARANR1H2NR1H3LIPGPTGER1
SCHEMBL12610868 0.78 PPARA (0.49) PPARANR1H2NR1H3LIPGPTGER1
SCHEMBL11994135 0.77 ALOX5AP (0.42) PPARANR1H2NR1H3LIPGTYR
SCHEMBL367335 0.77 DPP4 (0.52) PPARANR1H2NR1H3LIPGPTGER1
SCHEMBL2701240 0.76 LIPG (0.50) PPARAGPR3NR1H2NR1H3LIPG
SCHEMBL28825457 0.75 DPP4 (0.50) PPARANR1H2NR1H3LIPGPTGER1

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
US-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed