SCHEMBL7217344

SCHEMBL7217344

CC(C)C[C@H](N)B(O)O.O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 1/20 0.53
ITGB3 P05106 1/20 0.51
ITGAV P06756 1/20 0.51
NTSR1 P30989 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MMP1 P03956 1/20 0.44
ADAM17 P78536 1/20 0.44
PSMB5 P28074 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
KCNA5 P22460 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7161574 0.92 NPSR1 (0.48) MAPTNPSR1GAAITGB3ITGAV
SCHEMBL232948 0.91 ITGB3 (0.45) MAPTNPSR1GAAITGB3ITGAV
Alanine SCHEMBL601223 0.89 ITGB3 (0.44) MAPTNPSR1GAAITGB3ITGAV
SCHEMBL5098994 0.82 NTSR1 (0.58) MAPTNPSR1GAAITGB3ITGAV
SCHEMBL5099014 0.82 NTSR1 (0.58) MAPTNPSR1GAAITGB3ITGAV
Leucine SCHEMBL3814957 0.82 ITGB3 (0.45) MAPTNPSR1GAAITGB3ITGAV
Leucine SCHEMBL1414045 0.80 ITGB3 (0.47) MAPTNPSR1GAAITGB3ITGAV
SCHEMBL8385403 0.78 TP53 (0.58) MAPTNPSR1GAAITGB3ITGAV
SCHEMBL8650770 0.78 TP53 (0.58) MAPTNPSR1GAAITGB3ITGAV
Phenanthroline SCHEMBL27819826 0.78 MAPT (0.54) MAPTNPSR1GAAITGB3ITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617317-B1 Reducing the rate of degradation of proteins in an animal MILLENNIUM PHARMACEUTICALS, INC. 2003-09-09 US claimed
US-6465433-B1 SUCH AS N-(2-PYRIDINE)CARBONYL-L-PHENYLALANINE-L-LEUCINE BORONIC ACID; PROTEASOME INHIBITORS; REDUCING RATE OF MUSCLE PROTEIN DEGRADATION MILLENNIUM PHARMACEUTICALS, INC. 2002-10-15 US claimed
US-6083903-A REDUCE RATE OF DEGRADATION OF PROTEINS IN ANIMAL LEUKOSITE, INC. (US) 2000-07-04 US claimed