SCHEMBL13367173

SCHEMBL13367173

C=COCCOc1c2ccccc2c(OCCOC=C)c2cc(S(=O)(=O)OCc3ccc([N+](=O)[O-])cc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CYP19A1 P11511 8/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 2/20 0.34
KDR P35968 1/20 0.33
PRMT5 O14744 1/20 0.33

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
SCHEMBL13337786 0.87 CA1 (0.36) CA12CA1CA2CA9CYP19A1
SCHEMBL9304464 0.86 MEN1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL12595121 0.85 MEN1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL31233774 0.83 MEN1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL1109650 0.83 MEN1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL30139585 0.81 HTT (0.44) CA12CA1CA2CA7CA9
SCHEMBL335568 0.81 HTT (0.44) CA12CA1CA2CA7CA9
SCHEMBL13475516 0.77 MAOB (0.43) CA12CA1CA2CA7CA9
SCHEMBL8075081 0.77 S100A4 (0.45) CA12CA1CA2CA7CA9
SCHEMBL8400160 0.72 MEN1 (0.53) CA12CA1CA2CA7CA9

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
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO disclosed