SCHEMBL4078952

SCHEMBL4078952

CC(C)C1(c2ccccc2)NC(=O)N(C2C3CC4CC(C3)CC2C4)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
ALOX12 P18054 1/20 0.34
HSD11B1 P28845 3/20 0.34
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 3/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
USP2 O75604 1/20 0.33
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCKBR P32239 1/20 0.32

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
SCHEMBL13778596 0.71 TSHR (0.53) CTSDBACE1BACE2ALDH1A1SMN1; SMN2
SCHEMBL4233856 0.65 TSHR (0.42) BACE1BACE2ALDH1A1SMN1; SMN2
SCHEMBL13435193 0.64 HSD11B1 (0.44) HSD11B1PRMT5WDR77CTSDBACE1
SCHEMBL4083793 0.64 FLT3 (0.36) EPHX2ALOX12HSD11B1CHRM3ALDH1A1
SCHEMBL4232196 0.63 CYP2C9 (0.55) ALDH1A1
SCHEMBL5324640 0.63 EPHX2 (0.51) EPHX2ALOX12HSD11B1USP2ALDH1A1
SCHEMBL13558674 0.63 EPHX2 (0.51) EPHX2ALOX12HSD11B1USP2ALDH1A1
SCHEMBL1898293 0.62 EPHX2 (0.37) EPHX2HSD11B1PRMT5WDR77CTSD
SCHEMBL74972 0.62 EPHX2 (0.40) EPHX2HSD11B1USP2ALDH1A1CCKBR
SCHEMBL75016 0.62 HSD11B1 (0.37) EPHX2HSD11B1

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 2 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 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