SCHEMBL14748438

SCHEMBL14748438

CCOCOCc1cc(Oc2ccc([SH](C)(=O)P)cc2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 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
SCHEMBL7862660 0.84 UCHL1 (0.39)
SCHEMBL7862645 0.84 PDE4A (0.38)
SCHEMBL7864997 0.83 CXCR2 (0.39)
SCHEMBL7865496 0.83 PDE4A (0.38) LIPE
SCHEMBL19622356 0.82 PDE4A (0.30)
SCHEMBL7864059 0.82 PDE4A (0.36)
SCHEMBL7865344 0.82 MMP14 (0.41)
SCHEMBL14748472 0.81 UCHL1 (0.33)
SCHEMBL19622325 0.81
SCHEMBL7857229 0.81 LIPE (0.41) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564857-A1 Boron-containing small molecules as anti-inflammatory agents Anacor Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 WO disclosed