SCHEMBL8554488

SCHEMBL8554488

CCOC(=O)OC1CCCN(CC2CO2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
BCHE P06276 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL8552607 0.83 BCHE (0.35) CYP3A4BCHEALDH1A1
SCHEMBL8355466 0.78 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8446291 0.73 GRM2 (0.48) CYP3A4CYP1A2CYP2D6
SCHEMBL8375449 0.71 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL305155 0.71 ALDH1A1 (0.50) CYP2D6KDM4EALDH1A1SMN1; SMN2
SCHEMBL31540532 0.70 CYP3A4 (0.58) CYP3A4CYP1A2CYP2D6BCHEKDM4E
SCHEMBL3110206 0.69 EPHX1 (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL11593452 0.69 EPHX1 (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL4630680 0.69 EPHX1 (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL11591733 0.69 EPHX1 (0.53) KDM4EALDH1A1SMN1; SMN2

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-0839147-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-05-06 EP disclosed
WO-1997003072-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-30 WO disclosed