SCHEMBL14401548

SCHEMBL14401548

CC(/C=C/c1ccc(O)c(O)c1)=C\C(=O)CCc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.53
CCR5 P51681 1/20 0.52
PTGS1 P23219 2/20 0.51
CA12 O43570 3/20 0.51
CA4 P22748 3/20 0.51
CA6 P23280 3/20 0.51
CA5A P35218 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
CA5B Q9Y2D0 3/20 0.51
CA1 P00915 2/20 0.51
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
APP P05067 5/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 2/20 0.47
MET P08581 1/20 0.46

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
SCHEMBL13310702 0.87 CA12 (0.53) IAPPCCR5PTGS1CA12CA4
SCHEMBL8848008 0.80 IAPP (0.67) IAPPCCR5PTGS1CA12CA4
SCHEMBL9683152 0.80 IAPP (0.67) IAPPCCR5PTGS1CA12CA4
SCHEMBL1976133 0.79 IAPP (0.66) IAPPCCR5CA12CA4CA6
SCHEMBL1976131 0.79 IAPP (0.66) IAPPCCR5CA12CA4CA6
SCHEMBL21998520 0.78 AKR1B10 (0.67) CA12CA4CA6CA5ACA7
SCHEMBL4545217 0.77 ALOX5 (0.67) IAPPCCR5PTGS1CA12CA4
SCHEMBL30449722 0.77 ALOX5 (0.67) IAPPCCR5PTGS1CA12CA4
SCHEMBL29565226 0.76 HTR1A (0.69) PTGS1CA12CA4CA6CA5A
SCHEMBL13310700 0.76 GSK3B (0.58) CA12CA4CA6CA5ACA7

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-7282523-B2 Pharmaceutical compositions useful in prevention and treatment of beta-amyloid protein-induced disease KIM DARRICK S H L 2007-10-16 US disclosed