SCHEMBL2277321

SCHEMBL2277321

Cc1ccc2c(c1C(=O)O)-c1c(C3CCCCC3)c3ccccc3n1C[C@H](OCC1CCCN1CCN(C)S(=O)(=O)NC(=O)OC(C)(C)C)CO2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL4206442 0.92 PRKCA (0.37) PRKCAMMP12
SCHEMBL2277316 0.89 PRKCA (0.34) PRKCAMMP12
SCHEMBL2279364 0.87 PRKCA (0.44) PRKCAMMP12
SCHEMBL2276552 0.84 PRKCA (0.54) PRKCAMMP12
SCHEMBL2279362 0.82 PRKCA (0.47) PRKCAMMP12
SCHEMBL2278878 0.80 PRKCA (0.43) PRKCAMMP12ACACBACACA
SCHEMBL2275227 0.76 PRKCA (0.47) PRKCAMMP12
SCHEMBL2279343 0.74 PRKCA (0.42) PRKCAMMP12ACACBACACA
SCHEMBL4223402 0.73 PRKCA (0.57) PRKCAMMP12
SCHEMBL3685055 0.73 PRKCA (0.57) PRKCAMMP12

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