SCHEMBL1830071

SCHEMBL1830071

CC(OC(CC(=O)[O-])C[N+](C)(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 2/20 0.57
HRH1 P35367 1/20 0.57
CYP2C19 P33261 2/20 0.54
RECQL P46063 1/20 0.54
SLC22A16 Q86VW1 1/20 0.48
SLC25A20 O43772 3/20 0.47
TSHR P16473 3/20 0.47
TP53 P04637 2/20 0.47
CYP2D6 P10635 2/20 0.47
SLC6A5 Q9Y345 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4256715 0.87 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17629809 0.87 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1208087 0.87 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
Cadaverine Tartrate SCHEMBL7526527 0.84 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL26797583 0.84 MEN1 (0.62) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL8767045 0.84 MEN1 (0.62) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL26797580 0.84 MEN1 (0.62) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL7196471 0.77 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1580327 0.77 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL30516606 0.77 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140234410-A1 COMBINATION PRODUCTS SIGMOID PHARMA LTD. (IE) 2014-08-21 US disclosed
EP-2322146-B1 Microcapsule formulations comprising two pharmaceutically active ingredients SIGMOID PHARMA LTD (IE) 2012-12-12 EP disclosed
EP-2444071-A1 Minicapsule formulations Sigmoid Pharma Limited (IE) 2012-04-25 EP disclosed
EP-2322146-A2 Microcapsule formulations comprising two pharmaceutically active ingredients Sigmoid Pharma Limited (IE) 2011-05-18 EP disclosed
EP-2156826-A1 Microcapsule formulations comprising two pharmaceutically active ingredients Sigmoid Pharma Limited (IE) 2010-02-24 EP disclosed
EP-2153824-A1 Seamless multiparticulate formulations Sigmoid Pharma Limited (IE) 2010-02-17 EP disclosed
US-20080113031-A1 seamless capsules having cores containing drugs, to enhance bioavailability, sustained release or time release of drugs SIGMOID PHARMA LIMITED (IE) 2008-05-15 US disclosed
US-20080020018-A1 Combination Products SIGMOID PHARMA LIMITED (IE) 2008-01-24 US disclosed
EP-1811979-A2 MICROCAPSULES COMPRISING A METHYLXANTHINE AND A CORTICOSTEROID Sigmoid Biotechnologies Limited (IE) 2007-08-01 EP disclosed
EP-1499303-A4 MULTI-PHASE, MULTI-COMPARTMENT CAPSULAR SYSTEM MILLER FRED H (US) 2007-07-25 EP disclosed
EP-1802287-A2 MINICAPSULE FORMULATIONS Sigmoid Biotechnologies Limited (IE) 2007-07-04 EP disclosed
WO-2006035418-A2 MICROCAPSULES COMPRISING A METHYLXANTHINE AND A CORTICOSTEROID SIGMOID BIOTECHNOLOGIES LIMITED (IE) 2006-04-06 WO disclosed
WO-2006035416-A2 MINICAPSULE FORMULATIONS SIGMOID BIOTECHNOLOGIES LIMITED (IE) 2006-04-06 WO disclosed
EP-1499303-A2 MULTI-PHASE, MULTI-COMPARTMENT CAPSULAR SYSTEM Miller, Fred H. (US) 2005-01-26 EP disclosed
WO-2003086267-A2 MULTI-PHASE, MULTI-COMPARTMENT CAPSULAR SYSTEM MILLER FRED H (US) 2003-10-23 WO disclosed