SCHEMBL5801443

SCHEMBL5801443

CCOC(CO)C(O)CC

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.35
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL13358959 0.87 MGAM (0.45) MGAMLMNATHRBTDP1
SCHEMBL4361137 0.87 MGAM (0.45) MGAMLMNATHRBTDP1
SCHEMBL12657731 0.87 MGAM (0.45) MGAMLMNATHRBTDP1
SCHEMBL12180777 0.87 MGAM (0.45) MGAMLMNATHRBTDP1
SCHEMBL21752766 0.84 LMNA (0.43) MGAMLMNATHRBTSHR
SCHEMBL28204891 0.81 MGAM (0.41) MGAMLMNATHRB
SCHEMBL10874803 0.81 MGAM (0.41) MGAMLMNATHRBTSHR
SCHEMBL2829022 0.80 LMNA (0.39) MGAMLMNATHRBTSHRTDP1
SCHEMBL14535050 0.79 MGAM (0.41) MGAMLMNATHRB
SCHEMBL1184726 0.79 MGAM (0.41) MGAMLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006057904-A1 STEREOSELECTIVE PREPARATION OF 4-ARYL PIPERIDINE AMIDES BY ASYMMETRIC HYDROGENATION OF A PROCHIRAL ENAMIDE AND INTERMEDIATES OF THIS PROCESS MERCK & CO., INC. (US) 2006-06-01 WO disclosed