SCHEMBL7861019

SCHEMBL7861019

CCOC(=O)C1(C(=O)OCC)CC(CC(C)C)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 4/20 0.32
ALOX12 P18054 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 1/20 0.31
MME P08473 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 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
SCHEMBL7242999 0.79 GAA (0.36) POLBSMN1; SMN2GAANPSR1ATM
SCHEMBL7326403 0.77 POLB (0.41) POLBSMN1; SMN2GAAATMHTT
SCHEMBL14895480 0.69 SMN1; SMN2 (0.52) SMN1; SMN2GAANPSR1HTTALDH1A1
SCHEMBL8903867 0.68 POLB (0.47) POLBSMN1; SMN2GAAHSD17B10ATM
SCHEMBL28504265 0.66 POLB (0.48) POLBSMN1; SMN2GAAHSD17B10ATM
SCHEMBL831210 0.66 ADORA2B (0.49) POLBSMN1; SMN2GAANPSR1HSD17B10
SCHEMBL3710229 0.64 ADORA2B (0.39) GAANPSR1HSD17B10NPC1HTT
SCHEMBL8904269 0.64 POLB (0.44) POLBSMN1; SMN2GAAHSD17B10ATM
SCHEMBL7399965 0.64 MAPK1 (0.33) POLBSMN1; SMN2GAANPSR1NPC1
SCHEMBL7399962 0.64 MAPK1 (0.33) POLBSMN1; SMN2GAANPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641330-B1 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT UNIV NORTHWESTERN (US) 2001-10-17 EP disclosed