SCHEMBL2276216

SCHEMBL2276216

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM2B Q8NHM5 1/20 0.36
NR1I2 O75469 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPIA P62937 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PPM1D O15297 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 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
SCHEMBL4206515 0.93 PRKCA (0.52) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2279215 0.91 PRKCA (0.46) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2275315 0.89 PRKCA (0.45) PRKCAMMP12NR1I2CYP3A4ALDH1A1
SCHEMBL771223 0.88 PRKCA (0.43) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2274258 0.88 PRKCA (0.43) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL4219730 0.86 PRKCA (0.52) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL4221755 0.84 PRKCA (0.53) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL395908 0.83 PRKCA (0.59) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2280934 0.83 PRKCA (0.51) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL3814277 0.83 PRKCA (0.48) 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