SCHEMBL4069046

SCHEMBL4069046

O=C(O)ON1CCOC12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL16445515 0.75 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL4069044 0.72 CTSB (0.38) ALDH1A1L3MBTL1
SCHEMBL337653 0.63 CTSB (0.37) ALDH1A1L3MBTL1
SCHEMBL11387535 0.63 CTSB (0.37) ALDH1A1L3MBTL1
SCHEMBL680381 0.62 ALDH1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL11889925 0.62 ALDH1A1 (0.38) ALDH1A1L3MBTL1
SCHEMBL4062012 0.62 GRM5 (0.37)
SCHEMBL9873974 0.61 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL11889919 0.60 ALDH1A1 (0.41) ALDH1A1L3MBTL1
SCHEMBL4066201 0.59 GRM5 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP claimed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP claimed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO claimed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed