SCHEMBL7499191

SCHEMBL7499191

CCOC(=O)CN(Cc1ccccc1)CC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PPID Q08752 1/20 0.36
AKT1 P31749 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 3/20 0.35
ABCB1 P08183 1/20 0.35
BRD4 O60885 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIN1 Q13526 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL7499187 1.00 SPHK1 (0.37) SPHK1JAK2JAK1GPR119PPID
SCHEMBL6719410 1.00 SPHK1 (0.37) SPHK1JAK2JAK1GPR119PPID
SCHEMBL3612312 0.89 SPHK1 (0.40) SPHK1JAK2JAK1GPR119AKT1
SCHEMBL3612306 0.89 SPHK1 (0.40) SPHK1JAK2JAK1GPR119AKT1
SCHEMBL21802124 0.89 TP53 (0.38) PPIDL3MBTL1TP53SMN1; SMN2ALDH1A1
SCHEMBL2079206 0.81 SLC6A2 (0.40) SPHK1JAK2JAK1GPR119AKT1
SCHEMBL2079201 0.81 SLC6A2 (0.40) SPHK1JAK2JAK1GPR119AKT1
SCHEMBL21455299 0.80 SPHK1 (0.43) SPHK1L3MBTL1BRD4MEN1KMT2A
SCHEMBL20867962 0.80 SPHK1 (0.43) SPHK1L3MBTL1BRD4MEN1KMT2A
SCHEMBL21455156 0.80 SPHK1 (0.43) SPHK1L3MBTL1BRD4MEN1KMT2A

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