SCHEMBL8008396

SCHEMBL8008396

N#CC(O)CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
GRIK1 P39086 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TRPA1 O75762 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL12570603 0.94 FAAH (0.50) FAAHHDAC3MAPK1ADRA1AHDAC4
SCHEMBL864174 0.93 FAAH (0.52) FAAHTRPA1SIGMAR1MAOAMAPT
SCHEMBL18240095 0.93 FAAH (0.52) FAAHTRPA1SIGMAR1MAOAMAPT
SCHEMBL11807544 0.93 FAAH (0.52) FAAHTRPA1SIGMAR1MAOAMAPT
SCHEMBL4323888 0.88 CTSC (0.44) FAAHSLC6A3TSHRTDP1
SCHEMBL2163440 0.88 CTSC (0.44) FAAHSLC6A3TSHRTDP1
SCHEMBL3997283 0.88 CTSC (0.44) FAAHSLC6A3TSHRTDP1
SCHEMBL15873967 0.81 GRIK1 (0.42) GRIK1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL8688302 0.79 GAA (0.46) SMN1; SMN2HDAC8HDAC6SIGMAR1MAPT
SCHEMBL8688252 0.79 GAA (0.46) SMN1; SMN2HDAC8HDAC6SIGMAR1MAPT

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-3145935-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS Universiteit Leiden (NL) 2017-03-29 EP disclosed
WO-2016188972-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2016-12-01 WO disclosed
WO-2016188972-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2016-12-01 WO disclosed
US-7223784-B2 Compounds for the modulation of the glycolysis enzyme and/or transaminase complex ScheBo® Biotech AG (DE) 2007-05-29 US disclosed
EP-0711836-B1 Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide MITSUBISHI RAYON CO (JP) 2000-02-02 EP disclosed
US-5736385-A NITRILASE OR NITRILE HYDRATASE HYDROLYSIS OF A CYANOHYDRIN WHILE AUTOMATICALLY CONTROLLING CYANOHYDRIN CONCENTRATION NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-04-07 US disclosed
EP-0711836-A1 Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1996-05-15 EP disclosed