SCHEMBL5055153

SCHEMBL5055153

COCOCc1ccc(F)cc1BO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.34
AGXT P21549 2/20 0.34
MAOB P27338 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL27640442 0.88 NR3C1 (0.32) IDO1AGXTNR3C1PGRNR3C2
SCHEMBL2059029 0.77 IDO1 (0.31) IDO1
SCHEMBL500057 0.76 IDO1 (0.37) IDO1AGXTMAOB
SCHEMBL25078628 0.74 MAPT (0.37) IDO1AGXTMAOB
SCHEMBL10213864 0.73 CXCR2 (0.36) IDO1AGXTMAOBNR3C1PGR
SCHEMBL500146 0.72 NR3C1 (0.34) IDO1AGXTNR3C1PGRNR3C2
SCHEMBL15186177 0.72 IDO1 (0.34) IDO1AGXTPOLBL3MBTL1
SCHEMBL27640448 0.72 IDO1 (0.33) IDO1
SCHEMBL10213860 0.71 NR3C1 (0.31) IDO1AGXTNR3C1PGRNR3C2
SCHEMBL14470725 0.71 NR3C1 (0.31) IDO1AGXTNR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829521-B Hydrolysis resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS INC 2011-01-26 CN disclosed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
CN-1829521-A Hydrolysis resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS INC (US) 2006-09-06 CN disclosed