SCHEMBL5512792

SCHEMBL5512792

CC(C)C(C)(C)C(=O)OCOC(=O)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.36
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 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
SCHEMBL14215515 0.83 HTT (0.41) HPGDSMN1; SMN2HTTNPC1MAPT
SCHEMBL20390771 0.79 MMP8 (0.33) GAA
SCHEMBL26129358 0.78 ALDH1A1 (0.40) HPGDSMN1; SMN2HTTNPC1MAPT
SCHEMBL21134865 0.75 HPGD (0.40) HPGDSMN1; SMN2HTTNPC1MAPT
SCHEMBL26131514 0.74 ALDH1A1 (0.42) HPGDSMN1; SMN2HTTNPC1MAPT
SCHEMBL16965702 0.73 HPGD (0.39) HPGDSMN1; SMN2HTTNPC1MAPT
SCHEMBL11559149 0.72 ALDH1A1 (0.43) HPGDSMN1; SMN2HTTNPC1MAPT
SCHEMBL6756428 0.71 HTT (0.44) HPGDSMN1; SMN2HTTNPC1MAPT
SCHEMBL16575899 0.71 HPGD (0.51) HPGDSMN1; SMN2HTTNPC1MAPT
SCHEMBL3768429 0.71 KMT2A (0.55) HPGDMAPTRAB9AMEN1KMT2A

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