SCHEMBL7693422

SCHEMBL7693422

CC(=O)O[C@](C)(C#N)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
MMP8 P22894 1/20 0.32

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
SCHEMBL7693423 1.00 GAA (0.36) GAATSHRCTSSCTSKCTSL
SCHEMBL2105490 0.81 GAA (0.36) GAAMMP8
SCHEMBL7697918 0.74 GAA (0.42) GAATSHRCTSSCTSK
SCHEMBL7697919 0.74 GAA (0.42) GAATSHRCTSSCTSK
SCHEMBL12869155 0.73 GAA (0.43) GAATSHRMMP8
SCHEMBL4600041 0.73
SCHEMBL10945177 0.72 GAA (0.31) GAA
SCHEMBL13008707 0.71 GAA (0.41) GAATSHRMMP8
SCHEMBL10991618 0.71 GAA (0.30) GAA
SCHEMBL9300398 0.69 MMP8 (0.31) MMP8

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
US-6337196-B1 REACTION OF KETONE WITH CYANIDE TO FORM CYANOHYDRIN DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2002-01-08 US disclosed
EP-0951561-B1 ENZYMATIC PROCESSES FOR PREPARING (S)-CYANOHYDRINS DSM FINE CHEM AUSTRIA GMBH (AT) 2001-08-08 EP disclosed
EP-0951561-A1 ENZYMATIC PROCESSES FOR PREPARING (S)-CYANOHYDRINS DSM Fine Chemicals Austria GmbH (AT) 1999-10-27 EP disclosed
WO-1998030711-A1 ENZYMATIC PROCESSES FOR PREPARING (S)-CYANOHYDRINS DSM CHEMIE LINZ GMBH (AT) 1998-07-16 WO disclosed