SCHEMBL8552607

SCHEMBL8552607

CCOC(=O)OC1CCN(CC2CO2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
ALDH1A1 P00352 6/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CHRM4 P08173 1/20 0.34
GAA P10253 1/20 0.33
SOAT1 P35610 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8554488 0.83 CYP3A4 (0.42) BCHEALDH1A1CYP3A4
SCHEMBL8552348 0.81 BCHE (0.35) BCHEALDH1A1CHRM4GAASOAT1
SCHEMBL8356885 0.79 ALDH1A1 (0.53) ALDH1A1HTR1ADRD2HTR2AHTR2C
SCHEMBL6960026 0.79 ALDH1A1 (0.53) ALDH1A1HTR1ADRD2HTR2AHTR2C
SCHEMBL4640870 0.77
SCHEMBL1078049 0.77 ALDH1A1 (0.57) ALDH1A1GAASOAT1MAPTLMNA
SCHEMBL9330353 0.76 SCN1A (0.49) ALDH1A1HTR2AHTR2CHTR2BCHRM4
SCHEMBL8534997 0.76 TP53 (0.37) BCHEALDH1A1GAASOAT1MAPT
SCHEMBL3949872 0.75 HRH3 (0.44) ALDH1A1
SCHEMBL6226653 0.72 HRH3 (0.37) BCHEALDH1A1GAASOAT1TSHR

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