SCHEMBL3944808

SCHEMBL3944808

CC(C)(C)OC(=O)N1CC[C@H]2C[C@@H](NC(=O)OCc3ccccc3)CC[C@]2(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
DPP4 P27487 4/20 0.42
KCNH2 Q12809 4/20 0.42
DPP7 Q9UHL4 4/20 0.42
STS P08842 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
NTSR1 P30989 1/20 0.41
YAP1 P46937 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL7870 0.80 L3MBTL1 (0.58) HSD11B1L3MBTL1DPP4KCNH2DPP7
SCHEMBL30121231 0.79 L3MBTL1 (0.51) HSD11B1L3MBTL1DPP4KCNH2DPP7
SCHEMBL3726979 0.78 HSD11B1 (0.65) HSD11B1L3MBTL1DPP4KCNH2DPP7
SCHEMBL951887 0.78 HSD11B1 (0.65) HSD11B1L3MBTL1DPP4KCNH2DPP7
SCHEMBL6944572 0.78 HSD11B1 (0.65) HSD11B1L3MBTL1DPP4KCNH2DPP7
SCHEMBL26618839 0.78 STS (0.47) HSD11B1L3MBTL1DPP4KCNH2DPP7
SCHEMBL29691239 0.78 ENPP2 (0.49) HSD11B1L3MBTL1DPP4KCNH2DPP7
SCHEMBL24041196 0.77 STS (0.46) HSD11B1L3MBTL1STSALDH1A1MAPT
SCHEMBL4367160 0.77 STS (0.48) HSD11B1L3MBTL1STSALDH1A1GAA
SCHEMBL2521762 0.77 EPHX1 (0.57) HSD11B1L3MBTL1DPP4KCNH2DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034546-A2 TRANS-DECAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-03-19 WO disclosed