SCHEMBL2171554

SCHEMBL2171554

CCCC(CC)Oc1nc2ccccc2s1.CCCCCCCCOc1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.45
PTGS2 P35354 6/20 0.45
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ATP4A P20648 6/20 0.39
ATP4B P51164 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL3352036 0.89 PTGS1 (0.43) PTGS1PTGS2L3MBTL1MEN1KMT2A
SCHEMBL30423366 0.86 PTGS1 (0.57) PTGS1PTGS2PPARGPPARAL3MBTL1
SCHEMBL30423741 0.86 PTGS1 (0.57) PTGS1PTGS2PPARGPPARAL3MBTL1
SCHEMBL12371895 0.86 PTGS1 (0.57) PTGS1PTGS2PPARGPPARAL3MBTL1
SCHEMBL12371894 0.86 PTGS1 (0.57) PTGS1PTGS2PPARGPPARAL3MBTL1
SCHEMBL28282484 0.85 PTGS1 (0.58) PTGS1PTGS2PPARGPPARAL3MBTL1
SCHEMBL9167195 0.81 PTGS1 (0.64) PTGS1PTGS2PPARGPPARAL3MBTL1
SCHEMBL12371902 0.78 L3MBTL1 (0.41) PTGS1PTGS2L3MBTL1ATP4AATP4B
SCHEMBL30423386 0.78 L3MBTL1 (0.41) PTGS1PTGS2L3MBTL1ATP4AATP4B
SCHEMBL10158221 0.77 PTGS1 (0.61) PTGS1PTGS2PPARGPPARAL3MBTL1

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-2346956-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2011-07-27 EP claimed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO claimed