SCHEMBL2096645

SCHEMBL2096645

CC(C)(C)OC(=O)N1CC[C@H]1/C=N/[S+]([O-])C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RECQL P46063 1/20 0.32
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
NPC1 O15118 1/20 0.31
PREP P48147 1/20 0.31

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
SCHEMBL2054731 1.00 HSD17B10 (0.34) HSD17B10HPGDCHRM2CHRM1CHRM3
SCHEMBL17819531 0.92 HSD17B10 (0.41) HSD17B10HPGDLMNANPSR1SMN1; SMN2
SCHEMBL17820403 0.92 HSD17B10 (0.41) HSD17B10HPGDLMNANPSR1SMN1; SMN2
SCHEMBL2054728 0.92 HSD17B10 (0.41) HSD17B10HPGDLMNANPSR1SMN1; SMN2
SCHEMBL17819527 0.92 HSD17B10 (0.41) HSD17B10HPGDLMNANPSR1SMN1; SMN2
SCHEMBL17819724 0.92 HSD17B10 (0.41) HSD17B10HPGDLMNANPSR1SMN1; SMN2
SCHEMBL17819812 0.92 HSD17B10 (0.41) HSD17B10HPGDLMNANPSR1SMN1; SMN2
SCHEMBL2056396 0.92 HSD17B10 (0.41) HSD17B10HPGDLMNANPSR1SMN1; SMN2
SCHEMBL17819720 0.92 HSD17B10 (0.41) HSD17B10HPGDLMNANPSR1SMN1; SMN2
SCHEMBL17820406 0.92 HSD17B10 (0.41) HSD17B10HPGDLMNANPSR1SMN1; SMN2

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-1899294-B1 THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2015-03-18 EP disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed