SCHEMBL27791925

SCHEMBL27791925

[CH2][C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)co1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.39
PPARG P37231 7/20 0.38
EPHX2 P34913 7/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
S1PR4 O95977 2/20 0.37
S1PR3 Q99500 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARA Q07869 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
AKT3 Q9Y243 1/20 0.35

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
SCHEMBL3506811 0.82 EPHX2 (0.39) PSMB5PPARGEPHX2S1PR4S1PR3
SCHEMBL3506814 0.82 EPHX2 (0.39) PSMB5PPARGEPHX2S1PR4S1PR3
SCHEMBL4382045 0.80 EPHX2 (0.37) PSMB5PPARGEPHX2S1PR4S1PR3
SCHEMBL1529843 0.78 EPHX2 (0.38) PSMB5PPARGEPHX2S1PR4S1PR3
SCHEMBL1529841 0.78 EPHX2 (0.38) PSMB5PPARGEPHX2S1PR4S1PR3
SCHEMBL27770723 0.75 AKT1 (0.46) PPARGEPHX2LMNAGAAHDAC1
SCHEMBL27770726 0.75 AKT1 (0.46) PPARGEPHX2LMNAGAAHDAC1
SCHEMBL14114930 0.66 ALDH1A1 (0.46) PPARGEPHX2LMNAGAAPOLB
SCHEMBL27791917 0.65 ALDH1A1 (0.48) LMNASMN1; SMN2AKT1AKT2AKT3
SCHEMBL27964015 0.64 PPARG (0.48) PPARGEPHX2LMNAGAAHDAC1

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
CN-101646427-A Inhibitors of akt activity SMITHKLINE BEECHAM CORP US 2010-02-10 CN disclosed