SCHEMBL6206588

SCHEMBL6206588

NC(=O)CCCOC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.44
PDE4D Q08499 5/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
EPHX2 P34913 3/20 0.34
KDM4E B2RXH2 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KMT2A Q03164 1/20 0.32
TARDBP Q13148 1/20 0.32
ELANE P08246 1/20 0.32
CYP11B2 P19099 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
SCHEMBL2258293 0.91 SPHK1 (0.39) SPHK1PDE4DPDE4APDE4BPDE4C
SCHEMBL26203437 0.81 NPC1 (0.42) SPHK1KMT2ATARDBP
SCHEMBL27033223 0.79 SPHK1 (0.46) SPHK1PDE4AFFAR4KMT2A
SCHEMBL24158596 0.79 KDM4E (0.36) SPHK1PDE4DPDE4APDE4BPDE4C
SCHEMBL27539170 0.77 SPHK1 (0.37) SPHK1PDE4DPDE4APDE4BPDE4C
SCHEMBL4374339 0.76 SPHK1 (0.42) SPHK1EPHX2
SCHEMBL578731 0.76 SPHK1 (0.45) SPHK1EPHX2
SCHEMBL27055139 0.75 SPHK1 (0.46) SPHK1EPHX2KMT2A
SCHEMBL26307445 0.74 FFAR4 (0.36) EPHX2FFAR4
SCHEMBL9037091 0.72 SPHK1 (0.42) SPHK1

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-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP claimed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO claimed