SCHEMBL9825087

SCHEMBL9825087

CC(N)CCC1CC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
MAP3K14 Q99558 1/20 0.36
CRBN Q96SW2 4/20 0.34
HDAC8 Q9BY41 2/20 0.34
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.30
DDB1 Q16531 1/20 0.30
FFAR1 O14842 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
SCHEMBL3635351 0.85 GLA (0.46) GLAMAP3K14CRBNHDAC8CYP19A1
SCHEMBL28479332 0.77 MAP3K14 (0.50) GLAMAP3K14CRBNHDAC8CYP19A1
SCHEMBL886958 0.75 GLA (0.47) GLAMAP3K14CRBNCYP19A1NPC1
SCHEMBL1056468 0.74 MAP3K14 (0.43) GLAMAP3K14CRBNHDAC8CYP19A1
SCHEMBL1838214 0.74 MAP3K14 (0.43) GLAMAP3K14CRBNHDAC8CYP19A1
SCHEMBL29129779 0.73 MAP3K14 (0.46) GLAMAP3K14CRBNHDAC8CYP19A1
SCHEMBL28450446 0.72 GLA (0.45) GLAMAP3K14CRBNHTTNPC1
SCHEMBL13378339 0.71
SCHEMBL18909611 0.71
SCHEMBL11274777 0.71 MAP3K14 (0.44) GLAMAP3K14CRBNHDAC8CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199963-B1 ETHOSUXIMIDE ASSAY TRACERS, IMMUNOGENS AND ANTIBODIES ABBOTT LABORATORIES (US) 1991-10-23 EP disclosed
EP-0199963-A1 Ethosuximide assay tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-11-05 EP disclosed