SCHEMBL21077669

SCHEMBL21077669

CC(C)(C=O)c1ccc(-n2ccc3cc(NCCO[Si](C)(C)C(C)(C)C)ccc32)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.41
KCNH2 Q12809 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL15522136 0.89 DGAT1 (0.41) DGAT1KCNH2CA12CA1CA2
SCHEMBL15742157 0.88 DGAT1 (0.42) DGAT1KCNH2CA12CA1CA2
SCHEMBL15733091 0.83 DGAT1 (0.53) DGAT1KCNH2
SCHEMBL15521971 0.80 DGAT1 (0.39) DGAT1KCNH2
SCHEMBL15743018 0.76 DGAT1 (0.32) DGAT1KCNH2
SCHEMBL15733007 0.74 DGAT1 (0.42) DGAT1KCNH2
SCHEMBL14062292 0.74 PTK2 (0.36) DGAT1
SCHEMBL15745364 0.73 KDM4E (0.38) DGAT1
SCHEMBL17250107 0.73 KCNH2 (0.37) DGAT1KCNH2
SCHEMBL15733050 0.72 DGAT1 (0.54) 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
EP-3492474-A1 INTERMEDIATES USED IN THE PRODUCTION OF DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GlaxoSmithKline LLC (US) 2019-06-05 EP disclosed