SCHEMBL2274264

SCHEMBL2274264

Cc1ccc(OCc2ccccc2)c2c1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C[C@@H](NC(=O)OC(C)(C)C)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4B Q07343 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BRD4 O60885 2/20 0.32
SGMS2 Q8NHU3 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CYP2C9 P11712 3/20 0.32
PTGER1 P34995 1/20 0.32
NPC1L1 Q9UHC9 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
NSD2 O96028 1/20 0.32
NR1I2 O75469 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL2279218 0.91 PRKCA (0.47) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL3814277 0.90 PRKCA (0.48) PRKCAMMP12KMT2AL3MBTL1PDE4B
SCHEMBL2280938 0.88 PRKCA (0.53) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2274258 0.85 PRKCA (0.43) PRKCAMMP12KMT2AL3MBTL1PDE4B
SCHEMBL393733 0.83 PRKCA (0.51) PRKCAMMP12KMT2AL3MBTL1CYP2C9
SCHEMBL2960110 0.80 PRKCA (0.63) PRKCAMMP12KMT2AL3MBTL1CYP2C9
SCHEMBL4219730 0.80 PRKCA (0.52) PRKCAMMP12KMT2AHDAC1HDAC8
SCHEMBL4213697 0.79 PRKCA (0.57) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL2276847 0.79 PRKCA (0.53) PRKCAMMP12BRD4CYP2C9CYP3A4
SCHEMBL2278545 0.77 PRKCA (0.48) PRKCAMMP12KMT2A

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