SCHEMBL3296457

SCHEMBL3296457

CCOP(=O)(OCC)C(O)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
NAMPT P43490 2/20 0.45
EPHX2 P34913 8/20 0.43
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC1 Q13547 1/20 0.41

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
SCHEMBL3294504 0.87 L3MBTL1 (0.48) GAAL3MBTL1NAMPTEPHX2MAPT
SCHEMBL3296465 0.79 L3MBTL1 (0.43) GAAL3MBTL1NAMPTMAPTRECQL
SCHEMBL3180689 0.78 L3MBTL1 (0.61) GAAL3MBTL1NAMPTMAPTRECQL
SCHEMBL12270350 0.77 GAA (0.53) GAAL3MBTL1NAMPTMAPTRECQL
SCHEMBL19734791 0.77 L3MBTL1 (0.49) GAAL3MBTL1NAMPTMAPTRECQL
SCHEMBL5750637 0.77 POLB (0.49) POLBGAAL3MBTL1NAMPTMAPT
SCHEMBL7166722 0.77 POLB (0.82) POLBGAAL3MBTL1NPSR1
SCHEMBL24455110 0.76 L3MBTL1 (0.51) GAAL3MBTL1NAMPTMAPTRECQL
SCHEMBL3296454 0.76 POLB (0.55) POLBGAAL3MBTL1NPSR1
SCHEMBL14798817 0.76 L3MBTL1 (0.47) GAAL3MBTL1NAMPTMAPTRECQL

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-7736911-B2 Activity-based probes for protein tyrosine phosphatases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-06-15 US disclosed
WO-2005114197-A2 ACTIVITY-BASED PROBES FOR PROTEIN TYROSINE PHOSPHATASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2005-12-01 WO disclosed
US-20050233469-A1 Activity-based probes for protein tyrosine phosphatases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2005-10-20 US disclosed