SCHEMBL2277256

SCHEMBL2277256

CNCCN1CCCC1CO[C@@H]1COc2cccc(C)c2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
SCN9A Q15858 5/20 0.32
NR1I2 O75469 1/20 0.31
MAPT P10636 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
SCHEMBL4213234 0.91 PRKCA (0.57) PRKCAMMP12SCN9ANR1I2
SCHEMBL2277175 0.90 PRKCA (0.49) PRKCAMMP12NR1I2
SCHEMBL393188 0.88 PRKCA (0.52) PRKCAMMP12SCN9ANR1I2
SCHEMBL2275227 0.87 PRKCA (0.47) PRKCAMMP12NR1I2
SCHEMBL2279364 0.85 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2
SCHEMBL2277252 0.85 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2
SCHEMBL2277953 0.83 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2
SCHEMBL2281723 0.80 PRKCA (0.59) PRKCAMMP12SCN9ANR1I2
SCHEMBL3685264 0.80 PRKCA (0.59) PRKCAMMP12SCN9ANR1I2
SCHEMBL4211037 0.80 PRKCA (0.58) 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