SCHEMBL4136408

SCHEMBL4136408

CC(C)(C)[C@]1(NC(=O)O)CC[C@H](CN2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.44
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR4 Q13639 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PDE7A Q13946 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL962061 0.92 THRB (0.40) THRBLMNAGAASMN1; SMN2HTR4
SCHEMBL966199 0.78 EPHX1 (0.37) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1693036 0.75
SCHEMBL482045 0.75
SCHEMBL2334924 0.74 CYP2D6 (0.40) LMNACYP2D6
SCHEMBL4121883 0.74 CYP2D6 (0.40) LMNACYP2D6
SCHEMBL1957816 0.73 CCR2 (0.38)
SCHEMBL965370 0.72 HPGD (0.37) LMNAGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL17031741 0.72 SMN1; SMN2 (0.51) LMNASMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL965469 0.71 MEN1 (0.48) LMNASMN1; SMN2KDM4EALDH1A1MEN1

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
WO-2009071519-A9 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-03 WO disclosed
WO-2009071519-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed