SCHEMBL5512019

SCHEMBL5512019

CC(C)C(C)(C)C(=O)N1CCC(C(=O)NS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 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
SCHEMBL5516154 0.87 STS (0.41) STSMEN1KMT2ASMN1; SMN2HRH3
SCHEMBL5543694 0.86 KMT2A (0.38) STSMEN1KMT2ASMN1; SMN2HRH3
SCHEMBL5536873 0.85 CNR1 (0.43) STSCNR1CNR2MEN1KMT2A
SCHEMBL5516041 0.82 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2HRH3GAA
SCHEMBL5520234 0.81 KMT2A (0.42) MEN1KMT2ASMN1; SMN2HRH3GAA
SCHEMBL5540191 0.79 CNR1 (0.39) CNR1CNR2SMN1; SMN2HRH3EPHX2
SCHEMBL28974350 0.79 STS (0.62) STSKMT2APTPN2PTPN1PTPN6
SCHEMBL5510969 0.77 LMNA (0.53) HRH3GAAHSD17B10LMNA
SCHEMBL16892272 0.77 REV1 (0.43) STSMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL5517841 0.76 HSD17B10 (0.49) MEN1KMT2ASMN1; SMN2HRH3GAA

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-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