SCHEMBL17244010

SCHEMBL17244010

CC(C)(C)OC(=O)N1CCC[C@H]1C=N

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
UCHL1 P09936 1/20 0.40
EPHX1 P07099 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL7043434 0.95 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL190173 0.87 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL40804 0.87 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL338312 0.87 HSD17B10 (0.49) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3595877 0.85 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL22745296 0.85 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5848791 0.85 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3563098 0.85 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL7851599 0.84 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL7851601 0.84 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1ALDH1A1HPGD

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
US-9181229-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed