SCHEMBL1740767

SCHEMBL1740767

CC=CN=Cc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 5/20 0.52
KDM4E B2RXH2 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
RAB9A P51151 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
CTRC Q99895 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
PABPC1 P11940 1/20 0.44
APOBEC3A P31941 1/20 0.44

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
SCHEMBL5528283 0.87 CA12 (0.59) CA12CA2CA9KDM4ESIRT2
SCHEMBL8511457 0.87 CA12 (0.59) CA12CA2CA9KDM4ESIRT2
SCHEMBL11215737 0.85 CA12 (0.57) CA12CA2CA9KDM4ESIRT2
SCHEMBL11503328 0.85 CA12 (0.57) CA12CA2CA9KDM4ESIRT2
SCHEMBL6125723 0.81 CA12 (0.58) CA12CA2CA9KDM4ESIRT2
SCHEMBL16545276 0.79 CA12 (0.40) CA12CA2CA9KDM4ESIRT2
SCHEMBL16545277 0.79 CA12 (0.40) CA12CA2CA9KDM4ESIRT2
SCHEMBL10978830 0.75 CA12 (0.55) CA12CA2CA9KDM4ESIRT2
SCHEMBL10978832 0.75 CA12 (0.55) CA12CA2CA9KDM4ESIRT2
SCHEMBL8336769 0.75 CA12 (0.55) CA12CA2CA9KDM4ESIRT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120109286-A1 ANTIMICROBIAL COATINGS JOHNSON ANDREW (GB) 2012-05-03 US disclosed
EP-2389419-A1 ANTIMICROBIAL COATINGS The University of Bath (GB) 2011-11-30 EP disclosed
WO-2010084315-A1 ANTIMICROBIAL COATINGS THE UNIVERSITY OF BATH (GB) 2010-07-29 WO disclosed