SCHEMBL7500054

SCHEMBL7500054

C=CCOC(=O)N(CC(=O)OCC)CC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 1/20 0.31
HSD11B2 P80365 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
SCHEMBL7500049 1.00 SPHK1 (0.38) SPHK1SMN1; SMN2BRD4HSD11B2
SCHEMBL21455156 0.81 SPHK1 (0.43) SPHK1BRD4HSD11B2
SCHEMBL20867962 0.81 SPHK1 (0.43) SPHK1BRD4HSD11B2
SCHEMBL21455299 0.81 SPHK1 (0.43) SPHK1BRD4HSD11B2
SCHEMBL7500045 0.76 SPHK1 (0.39) SPHK1SMN1; SMN2BRD4HSD11B2
SCHEMBL8445237 0.74 SPHK1 (0.46) SPHK1BRD4HSD11B2
SCHEMBL14357932 0.74 SPHK1 (0.46) SPHK1BRD4HSD11B2
SCHEMBL7504065 0.74 HTT (0.41) SPHK1SMN1; SMN2HSD11B2
SCHEMBL7499187 0.73 SPHK1 (0.37) SPHK1SMN1; SMN2BRD4
SCHEMBL6719410 0.73 SPHK1 (0.37) SPHK1SMN1; SMN2BRD4

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