SCHEMBL4718010

SCHEMBL4718010

CCOC(=O)c1cnn(C2CCOCC2)c1Cl.O=C(O)c1cnn(C2CCOCC2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.45
PDE4D Q08499 1/20 0.44
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1406858 0.95 PDE4B (0.48) PDE4BPDE4DPKMKDM4EHSD17B10
Hydrochloric Acid SCHEMBL4718722 0.93 PDE4B (0.47) PDE4BPDE4DPKMKDM4EHSD17B10
SCHEMBL1407037 0.87 LMNA (0.47) PDE4BKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL1406557 0.87 NR3C1 (0.43) PDE4D
SCHEMBL1406792 0.84 LMNA (0.51) PDE4BKDM4ELMNASMN1; SMN2MAPT
SCHEMBL1407209 0.84 LMNA (0.48) PDE4BKDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL1406968 0.83 LMNA (0.53) PDE4BLMNAMAPT
SCHEMBL17097772 0.82 HSD11B1 (0.45) KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL17097774 0.82 HSD11B1 (0.45) KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL1407122 0.82 LMNA (0.44) KDM4EHSD17B10LMNASMN1; SMN2GAA

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-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed