SCHEMBL9978452

SCHEMBL9978452

COC(=O)C(C)(CC=CCl)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38

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
SCHEMBL5605687 0.80 MAPT (0.32) DGAT1
SCHEMBL5264547 0.80 MAPT (0.32) DGAT1
SCHEMBL2108417 0.79 GRIK1 (0.31)
SCHEMBL295881 0.79 GRIK1 (0.31)
SCHEMBL16305496 0.73
SCHEMBL17617203 0.72 DGAT1 (0.46) DGAT1
SCHEMBL13350013 0.72 DGAT1 (0.46) DGAT1
SCHEMBL9911580 0.71 DGAT1 (0.45) DGAT1
SCHEMBL8161656 0.71 DGAT1 (0.45) DGAT1
SCHEMBL12168855 0.71 DGAT1 (0.45) DGAT1

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-2011148392-A1 PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2011-12-01 WO disclosed