SCHEMBL9953694

SCHEMBL9953694

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1cnn(COCC[Si](C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
DGAT1 O75907 2/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL9952972 0.86 ALPL (0.33) ALPLDGAT1PDGFRBKDRAAK1
SCHEMBL9954498 0.81 DGAT1 (0.34) DGAT1
SCHEMBL23294549 0.80 LPL (0.41) DGAT1
SCHEMBL9954209 0.79 ALPL (0.34) ALPLPDGFRBKDRAAK1
SCHEMBL9954978 0.77 ALPL (0.34) ALPLPDGFRBKDRAAK1
SCHEMBL31221691 0.75 DGAT1 (0.34) DGAT1PDGFRBKDRAAK1
SCHEMBL29852091 0.74 LPL (0.33) DGAT1
SCHEMBL23294380 0.74 LPL (0.33) DGAT1
SCHEMBL23294299 0.74 FFAR1 (0.35) DGAT1
SCHEMBL9954735 0.73 ALPL (0.33) ALPLAAK1

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed