SCHEMBL4082455

SCHEMBL4082455

CC(C)c1c(C2C3CC4CC(C3)CC2C4)[nH]c(=O)n1CC1CCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTOR P42345 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL4083608 0.95 MEN1 (0.40) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4082103 0.75 MEN1 (0.42) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4088862 0.75
SCHEMBL4078679 0.71 TLR7 (0.40) MEN1ALDH1A1KMT2ATLR7
SCHEMBL4089119 0.70 MEN1 (0.38) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL74998 0.66 HSD11B1 (0.32)
SCHEMBL5755833 0.65 ALDH1A1 (0.47) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL4082407 0.64
SCHEMBL4078872 0.62 YTHDF2 (0.39)
SCHEMBL75582 0.60 HSD11B1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed