SCHEMBL2171001

SCHEMBL2171001

CCCC(C)Oc1nc2ccccc2s1.c1ccc(CCOc2nc3ccccc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.55
PPARA Q07869 3/20 0.55
PTGS1 P23219 6/20 0.45
PTGS2 P35354 6/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATP4A P20648 4/20 0.36
ATP4B P51164 4/20 0.36
LTA4H P09960 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL30422957 0.87 LOXL2 (0.44) PPARGPPARAPTGS1PTGS2MEN1
SCHEMBL12371903 0.87 LOXL2 (0.44) PPARGPPARAPTGS1PTGS2MEN1
SCHEMBL12371905 0.84 PPARG (0.64) PPARGPPARAPTGS1PTGS2MEN1
SCHEMBL30423104 0.84 PPARG (0.64) PPARGPPARAPTGS1PTGS2MEN1
SCHEMBL2173022 0.78 L3MBTL1 (0.42) PTGS1PTGS2MEN1KMT2ANPC1
SCHEMBL28088120 0.77 PPARG (0.65) PPARGPPARAPTGS1PTGS2MEN1
SCHEMBL30423386 0.77 L3MBTL1 (0.41) PTGS1PTGS2MEN1KMT2ANPC1
SCHEMBL12371902 0.77 L3MBTL1 (0.41) PTGS1PTGS2MEN1KMT2ANPC1
SCHEMBL18013356 0.76 LOXL2 (0.46) PTGS1PTGS2MEN1KMT2ARAB9A
SCHEMBL10158221 0.76 PTGS1 (0.61) PPARGPPARAPTGS1PTGS2MEN1

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