SCHEMBL9053183

SCHEMBL9053183

C[C@H]1OC(Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 1/20 0.42
AKR1B1 P15121 1/20 0.42
TYR P14679 1/20 0.40
NR1H3 Q13133 1/20 0.40
FUCA1 P04066 2/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
XDH P47989 1/20 0.39
SLC29A1 Q99808 1/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL14365700 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR
SCHEMBL150880 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR
SCHEMBL2543592 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR
SCHEMBL15781205 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR
SCHEMBL15782553 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR
SCHEMBL4609138 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR
SCHEMBL2943984 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR
SCHEMBL2296345 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR
SCHEMBL7596584 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR
SCHEMBL4106150 1.00 CA12 (0.48) CA12CA9LMNAAKR1B1TYR

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-1996006163-A1 NOVEL RHAMNOGALACTURONAN RHAMNOSIDASES NOVO NORDISK A/S (DK) 1996-02-29 WO disclosed