SCHEMBL5518286

SCHEMBL5518286

CCOC(=O)C(=O)c1csc(C(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCB1 P08183 2/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
PKM P14618 2/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
PIK3CD O00329 1/20 0.36

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
SCHEMBL2440072 0.84 RAB9A (0.60) TLR7MAPTALDH1A1NPC1RAB9A
SCHEMBL13451814 0.81 MAPT (0.47) TLR7MAPTALDH1A1NPC1RAB9A
SCHEMBL424300 0.80 MAPT (0.46) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL11004517 0.80 MAPT (0.46) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL353584 0.78 ALDH1A1 (0.69) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL10465943 0.78 MAPT (0.45) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL5512650 0.77 TLR7 (0.50) TLR7MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11009689 0.77 ALDH1A1 (0.72) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL19481652 0.76 CYP1A2 (0.52) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL10464648 0.76 MEN1 (0.57) MAPTALDH1A1NPC1RAB9AMEN1

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 4 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-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