SCHEMBL2279328

SCHEMBL2279328

CNC(C)(C)CNCCN(C)[C@H]1COc2cccc(C)c2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.61
MMP12 P39900 1/20 0.61
NR1I2 O75469 1/20 0.32
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
SCN9A Q15858 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
SCHEMBL4221579 0.91 PRKCA (0.75) PRKCAMMP12NR1I2CYP3A4CYP2D6
SCHEMBL396060 0.90 PRKCA (0.68) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL391578 0.88 PRKCA (0.66) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL394843 0.87 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393699 0.87 PRKCA (0.70) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2279944 0.87 PRKCA (0.70) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393585 0.85 PRKCA (0.68) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2279326 0.84 PRKCA (0.65) PRKCAMMP12NR1I2CYP3A4CYP2D6
SCHEMBL2274527 0.83 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2271497 0.81 PRKCA (0.60) PRKCAMMP12NR1I2

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