SCHEMBL2274159

SCHEMBL2274159

CNCC[C@H]1COc2c(OC)ccc(C)c2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
SCN9A Q15858 3/20 0.34
NR1I2 O75469 2/20 0.34
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
XIAP P98170 1/20 0.32
KCNH2 Q12809 4/20 0.32
CFB P00751 2/20 0.32
CYP3A4 P08684 1/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL2271812 0.92 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2CYSLTR2
SCHEMBL2273158 0.92 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2SLC6A2
SCHEMBL4206439 0.88 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2CYSLTR2
SCHEMBL2280300 0.86 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL2274157 0.82 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL4216548 0.81 PRKCA (0.52) PRKCAMMP12SCN9ANR1I2XIAP
SCHEMBL4211779 0.81 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2XIAP
SCHEMBL2276847 0.80 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL2276489 0.80 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL14110631 0.80 PRKCA (0.67) PRKCAMMP12SCN9ANR1I2XIAP

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