SCHEMBL7494707

SCHEMBL7494707

COC(=O)CNCC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
HSD11B2 P80365 1/20 0.42
BRD4 O60885 1/20 0.36
HCRTR2 O43614 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NAMPT P43490 2/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
EPHX2 P34913 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7506014 0.90 SPHK1 (0.43) SPHK1HSD11B2BRD4HCRTR2TSHR
SCHEMBL7503893 0.90 SPHK1 (0.43) SPHK1HSD11B2BRD4HCRTR2TSHR
SCHEMBL1863729 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2TSHR
SCHEMBL14489664 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2TSHR
SCHEMBL1863728 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2TSHR
SCHEMBL2082395 0.86 SPHK1 (0.51) SPHK1HSD11B2BRD4HCRTR2SMN1; SMN2
SCHEMBL2082390 0.86 SPHK1 (0.51) SPHK1HSD11B2BRD4HCRTR2SMN1; SMN2
SCHEMBL2326706 0.85 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2TSHR
SCHEMBL2326704 0.85 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2TSHR
SCHEMBL6918603 0.85 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2TSHR

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