SCHEMBL2360397

SCHEMBL2360397

CCOC(=O)COC(=O)N1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL1219954 0.89 GAA (0.65) GAAL3MBTL1THRBATMNOS3
SCHEMBL28473595 0.86 ALDH1A1 (0.58) GAAL3MBTL1ALDH1A1TSHRHTT
SCHEMBL4863171 0.83 GAA (0.57) GAAL3MBTL1THRBATMNOS3
SCHEMBL18849447 0.83 GAA (0.57) GAAL3MBTL1THRBATMNOS3
SCHEMBL21808023 0.82 TSHR (0.52) GAAL3MBTL1THRBATMNOS3
SCHEMBL18130832 0.81 ALDH1A1 (0.51) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL8353063 0.80 CHRM1 (0.70) GAAL3MBTL1THRBATMNOS3
SCHEMBL3632401 0.80 GAA (0.54) GAAL3MBTL1THRBATMNOS3
SCHEMBL28473596 0.79 ALDH1A1 (0.51) GAAL3MBTL1ALDH1A1TSHRHTT
SCHEMBL2978403 0.79 GAA (0.56) GAAL3MBTL1THRBATMNOS3

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
WO-2016065582-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed