SCHEMBL4631307

SCHEMBL4631307

Cn1[nH]c(=O)c2c1C1(C)CCC2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.47
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4368488 1.00 HSD11B1 (0.47) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL4367607 1.00 HSD11B1 (0.47) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL15151452 1.00 HSD11B1 (0.47) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL4664494 0.76 HSD11B1 (0.58) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL4371217 0.76 HSD11B1 (0.58) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL4371631 0.76 HSD11B1 (0.58) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL13636044 0.75
SCHEMBL4365054 0.73 HSD11B1 (0.61) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL15151359 0.73 HSD11B1 (0.61) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL4665321 0.73 HSD11B1 (0.61) HSD11B1CYP3A4SMN1; SMN2

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-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed