SCHEMBL5515009

SCHEMBL5515009

CC(C)c1nnc(CC(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.36
GAA P10253 1/20 0.36
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL25478408 0.81 HTT (0.62) LMNAHTTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL22065495 0.79 SMN1; SMN2 (0.56) LMNAHSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL2705929 0.74 GLS (0.45) LMNAHTTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL5545037 0.74 SMN1; SMN2 (0.56) HTTHSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL7677399 0.73 NPC1 (0.39) LMNAHSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL22052108 0.71 MAOB (0.34) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL23047877 0.71 MAOB (0.34) LMNAHSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL9662773 0.69 F2 (0.39) HTTHSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL1686855 0.69 F2 (0.70) HTTHSD17B10SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10403237 0.69 F2 (0.39) HTTHSD17B10SMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed