SCHEMBL7388385

SCHEMBL7388385

CCOC(=O)ONNOC(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
SOAT1 P35610 1/20 0.57
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.40
TRPA1 O75762 1/20 0.40
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
HTT P42858 1/20 0.36
HCAR2 Q8TDS4 1/20 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
SCHEMBL10343186 0.82 ALDH1A1 (0.48) ALDH1A1SOAT1MGAMGAASI
SCHEMBL11019424 0.81
SCHEMBL8006196 0.79
SCHEMBL10840657 0.79
Hydrochloric Acid SCHEMBL6382870 0.79
SCHEMBL1958756 0.78 ALDH1A1 (1.00) ALDH1A1SOAT1MGAMGAASI
SCHEMBL3673 0.78
SCHEMBL1332089 0.78
SCHEMBL2336864 0.77 ALDH1A1 (0.55) ALDH1A1SOAT1MGAMGAASI
SCHEMBL9993863 0.77 ALDH1A1 (0.55) ALDH1A1SOAT1MGAMGAASI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998008844-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed
EP-0045837-B1 REACTIVE DERIVATIVES OF 3-OXA-BICYCLO(4.3.0)-NON-1-ENE-9-ONE, PROCESS FOR THEIR PREPARATION AND THEIR USE Dr. Willmar Schwabe GmbH & Co. (DE) 1984-09-19 EP disclosed
EP-0045837-A1 Reactive derivatives of 3-oxa-bicyclo(4.3.0)-non-1-ene-9-one, process for their preparation and their use Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-17 EP disclosed