SCHEMBL8323146

SCHEMBL8323146

CCOC(=O)c1c(O)cccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
MAOB P27338 2/20 0.54
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
PPIA P62937 3/20 0.48
FOLH1 Q04609 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL27032917 0.89 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL2582045 0.87 RXRA (0.54) CA12CA1CA2CA7CA9
SCHEMBL5120937 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL10066978 0.85 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL27716323 0.84 MAOB (0.50) CA12CA1CA2CA7CA9
SCHEMBL30892463 0.82 MAOB (0.76) CA9MAOBMAPTTDP1L3MBTL1
SCHEMBL1728168 0.82 MAOB (0.76) CA9MAOBMAPTTDP1L3MBTL1
SCHEMBL23413759 0.82 MAOB (0.53) MAOBMAPTTDP1L3MBTL1MAPK1
SCHEMBL1097553 0.82 PPIA (0.56) MAPTTDP1L3MBTL1MAPK1KMT2A
SCHEMBL19336446 0.82 FOLH1 (0.62) 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-2004033437-A1 DIBENZOXAZEPINE BAYER HEALTHCARE AG (DE) 2004-04-22 WO disclosed