SCHEMBL6888034

SCHEMBL6888034

CC(=O)OC(C(=O)O)C1(NC(=O)OC(C)(C)C)CCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
BTK Q06187 1/20 0.32
CTSL P07711 1/20 0.32
MAPK1 P28482 1/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
PPARA Q07869 2/20 0.31
APLNR P35414 1/20 0.31
PPARG P37231 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
SCHEMBL1965623 0.79 BTK (0.38) MEN1KMT2AGAABTKCTSL
SCHEMBL18878390 0.73 CTSL (0.39) MEN1KMT2AGAABTKCTSL
SCHEMBL23552042 0.72 CTSL (0.37) MEN1KMT2AGAABTKCTSL
SCHEMBL12070311 0.72 GAA (0.39) MEN1KMT2AGAABTKCTSL
SCHEMBL29395889 0.72 CA1 (0.34) MEN1KMT2AGAABTKCTSL
SCHEMBL29398236 0.71 CTSL (0.40) MEN1KMT2ACTSLMAPK1CTSS
SCHEMBL27936021 0.71 CA12 (0.37) MEN1KMT2AGAABTKCTSL
SCHEMBL13740499 0.71 CA12 (0.37) MEN1KMT2AGAABTKCTSL
SCHEMBL6888536 0.71 CTSL (0.35) MEN1KMT2AGAABTKCTSL
SCHEMBL22026374 0.70 MEN1 (0.38) MEN1KMT2AGAABTKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859605-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
US-8815809-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-08-26 US disclosed
EP-2509956-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2014-07-23 EP disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070541-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed