SCHEMBL2277015

SCHEMBL2277015

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.53
MMP12 P39900 1/20 0.53
NR1I2 O75469 2/20 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
SCHEMBL2277970 0.93 PRKCA (0.51) PRKCAMMP12NR1I2
SCHEMBL2278835 0.93 PRKCA (0.52) PRKCAMMP12NR1I2
SCHEMBL2275104 0.91 PRKCA (0.53) PRKCAMMP12NR1I2
SCHEMBL4212003 0.91 PRKCA (0.65) PRKCAMMP12NR1I2
SCHEMBL2276687 0.89 PRKCA (0.49) PRKCAMMP12NR1I2
SCHEMBL2276697 0.88 PRKCA (0.52) PRKCAMMP12NR1I2
SCHEMBL2279114 0.87 PRKCA (0.51) PRKCAMMP12NR1I2
SCHEMBL2277012 0.84 PRKCA (0.56) PRKCAMMP12NR1I2
SCHEMBL4208318 0.84 PRKCA (0.62) PRKCAMMP12NR1I2
SCHEMBL4210071 0.84 PRKCA (0.62) 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