SCHEMBL7697918

SCHEMBL7697918

CCC[C@@](C)(C#N)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL7697919 1.00 GAA (0.42) GAALMNAHSD17B10MEN1KMT2A
SCHEMBL13191105 0.85 MEN1 (0.37) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL9943662 0.82 GAA (0.43) GAALMNAHSD17B10ALDH1A1
SCHEMBL7693422 0.74 GAA (0.36) GAATSHRCTSSCTSK
SCHEMBL7693423 0.74 GAA (0.36) GAATSHRCTSSCTSK
SCHEMBL9189043 0.73 CA12 (0.42) LMNAALDH1A1TSHR
SCHEMBL21542085 0.72 GAA (0.46) GAALMNAHSD17B10ALDH1A1
SCHEMBL28959292 0.72 LMNA (0.38) LMNAHSD17B10CTSSCTSK
SCHEMBL1579162 0.72 GAA (0.50) GAALMNAHSD17B10ALDH1A1TSHR
SCHEMBL12776904 0.72 GAA (0.50) GAALMNAHSD17B10ALDH1A1TSHR

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