SCHEMBL2277175

SCHEMBL2277175

Cc1cccc2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@H](OCC1CCCN1Cc1ccccc1)CO2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
FAAH O00519 4/20 0.35
PRKG1 Q13976 3/20 0.34
NR1I2 O75469 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
SPHK1 Q9NYA1 1/20 0.32
CHEK2 O96017 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
SCHEMBL4211037 0.91 PRKCA (0.58) PRKCAMMP12FAAHPRKG1NR1I2
SCHEMBL2277256 0.90 PRKCA (0.46) PRKCAMMP12NR1I2
SCHEMBL2275227 0.85 PRKCA (0.47) PRKCAMMP12NR1I2
SCHEMBL2277169 0.85 PRKCA (0.52) PRKCAMMP12FAAHNR1I2CYP3A4
SCHEMBL2277953 0.84 PRKCA (0.51) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393141 0.83 PRKCA (0.55) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2279364 0.82 PRKCA (0.44) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393188 0.82 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4213234 0.81 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2281723 0.80 PRKCA (0.59) PRKCAMMP12NR1I2CYP3A4CYP2C9

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