SCHEMBL14190080

SCHEMBL14190080

COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)c1cc(N)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.70
CA4 P22748 5/20 0.70
CA9 Q16790 5/20 0.70
CA1 P00915 4/20 0.70
CA2 P00918 4/20 0.70
MET P08581 13/20 0.55
CA6 P23280 1/20 0.48
HTR7 P34969 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
APP P05067 1/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL4129207 0.90 CA12 (0.71) CA12CA4CA9CA1CA2
SCHEMBL4129197 0.90 CA12 (0.71) CA12CA4CA9CA1CA2
SCHEMBL2991870 0.88 CA12 (0.70) CA12CA4CA9CA1CA2
SCHEMBL2991875 0.88 CA12 (0.70) CA12CA4CA9CA1CA2
SCHEMBL14217572 0.86 MET (0.56) CA12CA4CA9CA1CA2
SCHEMBL2880951 0.85 MET (0.67) CA12CA4CA9CA1CA2
SCHEMBL1319077 0.85 MET (0.67) CA12CA4CA9CA1CA2
Potassium Ion SCHEMBL6385906 0.84 MET (0.66) CA12CA4CA9CA1CA2
SCHEMBL13242531 0.84 MET (0.66) CA12CA4CA9CA1CA2
SCHEMBL13242536 0.84 MET (0.66) CA12CA4CA9CA1CA2

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-7378412-B2 Pharmaceutical compounds NICOX S.A. (FR) 2008-05-27 US disclosed