SCHEMBL7506014

SCHEMBL7506014

CCOC(=O)CNC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
HSD11B2 P80365 1/20 0.39
BRD4 O60885 1/20 0.36
MLYCD O95822 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR2 O43614 1/20 0.34
EPHX2 P34913 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
GLA P06280 1/20 0.32
PPID Q08752 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
RORC P51449 1/20 0.30
CTSK P43235 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
SCHEMBL7503893 1.00 SPHK1 (0.43) SPHK1HSD11B2BRD4MLYCDALDH1A1
SCHEMBL7494707 0.90 SPHK1 (0.43) SPHK1HSD11B2BRD4ALDH1A1TSHR
SCHEMBL2082390 0.86 SPHK1 (0.51) SPHK1HSD11B2BRD4HCRTR2EPHX2
SCHEMBL2082395 0.86 SPHK1 (0.51) SPHK1HSD11B2BRD4HCRTR2EPHX2
SCHEMBL14357932 0.85 SPHK1 (0.46) SPHK1HSD11B2BRD4MLYCDALDH1A1
SCHEMBL8445237 0.85 SPHK1 (0.46) SPHK1HSD11B2BRD4MLYCDALDH1A1
SCHEMBL6719414 0.81 MEN1 (0.39) SPHK1HSD11B2ALDH1A1MEN1KMT2A
SCHEMBL7504057 0.81 MEN1 (0.44) HSD11B2MEN1KMT2AGAAPOLB
SCHEMBL3465657 0.81 SPHK1 (0.44) SPHK1HSD11B2BRD4MLYCDALDH1A1
SCHEMBL3465655 0.81 SPHK1 (0.44) SPHK1HSD11B2BRD4MLYCDALDH1A1

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-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed