SCHEMBL9108639

SCHEMBL9108639

COc1c(CO)c(OC)c(OC)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
MAPT P10636 2/20 0.35
CA1 P00915 1/20 0.35
CA6 P23280 1/20 0.35
PDE1A P54750 4/20 0.33
PDE1B Q01064 4/20 0.33
PDE3B Q13370 4/20 0.33
PDE1C Q14123 4/20 0.33
PDE3A Q14432 4/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
PDE5A O76074 3/20 0.33
AKR1B1 P15121 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SLC2A1 P11166 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL7971157 0.84 CA2 (0.46) CA2CA4MAPTCA1CA6
SCHEMBL9766027 0.78 CA2 (0.46) CA2CA4MAPTCA1CA6
SCHEMBL10130850 0.77 CA2 (0.50) CA2CA4MAPTCA1CA6
SCHEMBL9766039 0.75 CA2 (0.43) CA2CA4AKR1B1
SCHEMBL5533935 0.73 CA2 (0.69) CA2CA4CA1CA6PDE1A
SCHEMBL9962327 0.73 CA2 (0.46) CA2CA4MAPTCA1CA6
SCHEMBL357480 0.73 CA2 (0.46) CA2CA4MAPTCA1CA6
SCHEMBL9549629 0.73 CA2 (0.46) CA2CA4MAPTAKR1B1
SCHEMBL6439100 0.73 CA2 (0.46) CA2CA4MAPTCA1CA6
SCHEMBL26566932 0.73 CA2 (0.46) CA2CA4MAPTCA1CA6

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
EP-1529089-B1 THICK RADIATION SENSITIVE DEVICES JP LAB INC (US) 2012-06-06 EP claimed