SCHEMBL2274258

SCHEMBL2274258

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](NC(=O)OC(C)(C)C)COc1c(OCc2ccccc2)cccc1-3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4D Q6B0I6 2/20 0.36
PDE4B Q07343 1/20 0.35
SGMS2 Q8NHU3 1/20 0.34
NR1I2 O75469 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PAX8 Q06710 1/20 0.33
RORC P51449 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3814277 0.95 PRKCA (0.48) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2279215 0.90 PRKCA (0.46) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2280934 0.88 PRKCA (0.51) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2276216 0.88 PRKCA (0.46) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2274264 0.85 PRKCA (0.44) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL4219730 0.85 PRKCA (0.52) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL771223 0.84 PRKCA (0.43) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL393732 0.84 PRKCA (0.55) PRKCAMMP12KMT2AL3MBTL1KDM4D
SCHEMBL2272924 0.84 PRKCA (0.41) PRKCAMMP12KMT2AL3MBTL1KDM4D
SCHEMBL4213697 0.83 PRKCA (0.57) PRKCAMMP12HDAC1HDAC8HDAC6

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