SCHEMBL7699097

SCHEMBL7699097

CCCCC[C@@H](C#N)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
GPR84 Q9NQS5 5/20 0.38
CA1 P00915 2/20 0.38
FFAR1 O14842 1/20 0.38
PRKCA P17252 2/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL1573329 1.00 FAAH (0.40) FAAHGPR84CA1FFAR1PRKCA
SCHEMBL7183665 0.94 EPHX2 (0.41) FAAHCA1PRKCAEPHX2ALDH1A1
SCHEMBL7175617 0.88 TSHR (0.36) PRKCAEPHX2ALDH1A1MAPTLMNA
SCHEMBL8965442 0.88 TSHR (0.36) PRKCAEPHX2ALDH1A1MAPTLMNA
Benzene SCHEMBL8964846 0.83 SLC6A3 (0.34) EPHX2ALDH1A1
SCHEMBL6382808 0.82 GPR84 (0.44) FAAHGPR84CA1FFAR1PRKCA
SCHEMBL11774722 0.81 TSHR (0.49) FAAHGPR84FFAR1ZDHHC7EPHX2
SCHEMBL7061248 0.81 TSHR (0.49) FAAHGPR84FFAR1ZDHHC7EPHX2
SCHEMBL11512142 0.81 FAAH (0.40) FAAHGPR84CA1FFAR1PRKCA
SCHEMBL11512138 0.81 FAAH (0.40) FAAHGPR84CA1FFAR1PRKCA

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