SCHEMBL2273255

SCHEMBL2273255

Cc1cccc2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@@H](CCCO)CO2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.54
MMP12 P39900 1/20 0.54
SLC22A12 Q96S37 6/20 0.34
SCN9A Q15858 2/20 0.33
MCL1 Q07820 2/20 0.32
NR1I2 O75469 3/20 0.31
KMO O15229 1/20 0.31
PARP1 P09874 1/20 0.31
PDE4A P27815 2/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL4217906 0.88 PRKCA (0.67) PRKCAMMP12SCN9AMCL1NR1I2
SCHEMBL394439 0.86 PRKCA (0.57) PRKCAMMP12SLC22A12SCN9ANR1I2
SCHEMBL392344 0.84 PRKCA (0.55) PRKCAMMP12SLC22A12SCN9ANR1I2
SCHEMBL2276308 0.84 PRKCA (0.50) PRKCAMMP12NR1I2
SCHEMBL393585 0.82 PRKCA (0.68) PRKCAMMP12SLC22A12SCN9ANR1I2
SCHEMBL2279944 0.82 PRKCA (0.70) PRKCAMMP12SLC22A12SCN9AMCL1
SCHEMBL393699 0.82 PRKCA (0.70) PRKCAMMP12SLC22A12SCN9ANR1I2
SCHEMBL391578 0.82 PRKCA (0.66) PRKCAMMP12SLC22A12SCN9ANR1I2
SCHEMBL2274540 0.81 PRKCA (0.55) PRKCAMMP12SCN9ANR1I2EGLN1
SCHEMBL2277223 0.80 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2

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-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed