SCHEMBL1384130

SCHEMBL1384130

CC(C)C1(C)SC(NCCC2CCCCC2)=NC1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
GSK3B P49841 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL4639681 1.00 CA2 (0.36) CA2GSK3BJAK2JAK1NPC1
SCHEMBL14440420 0.87 CA2 (0.34) CA2JAK2JAK1
SCHEMBL14441364 0.85 CA2 (0.32) CA2JAK2JAK1
SCHEMBL1606126 0.77 NPSR1 (0.36)
SCHEMBL1605630 0.77 NPSR1 (0.36)
SCHEMBL10249834 0.75 TDO2 (0.34)
SCHEMBL1604343 0.75 IDH1 (0.38) CA2
SCHEMBL1605481 0.75 IDH1 (0.38) CA2
SCHEMBL14429368 0.74 KCNH3 (0.32)
SCHEMBL10249831 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4789934-B2 2011-10-12 JP claimed
EP-1753736-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 Amgen Inc. (US) 2007-02-21 EP claimed
WO-2005116002-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2005-12-08 WO claimed
EP-1951696-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 Amgen Inc. (US) 2008-08-06 EP disclosed
WO-2007061661-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2007-05-31 WO disclosed
EP-1753736-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 Amgen Inc. (US) 2007-02-21 EP disclosed
WO-2005116002-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2005-12-08 WO disclosed