SCHEMBL2279218

SCHEMBL2279218

CN[C@H]1COc2c(OCc3ccccc3)ccc(C)c2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NR1I2 O75469 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
SCN9A Q15858 1/20 0.33
FFAR1 O14842 1/20 0.33
MRGPRX4 Q96LA9 3/20 0.33
BRD4 O60885 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2274264 0.91 PRKCA (0.44) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL4219730 0.89 PRKCA (0.52) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2279215 0.84 PRKCA (0.46) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2275938 0.83 PRKCA (0.45) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2280938 0.83 PRKCA (0.53) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL392344 0.81 PRKCA (0.55) PRKCAMMP12NR1I2CYP3A4SCN9A
SCHEMBL3814277 0.80 PRKCA (0.48) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL4206515 0.80 PRKCA (0.52) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2280300 0.79 PRKCA (0.47) PRKCAMMP12NR1I2SCN9A
SCHEMBL2274159 0.79 PRKCA (0.44) PRKCAMMP12NR1I2CYP3A4SCN9A

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