SCHEMBL17834356

SCHEMBL17834356

Cc1ccc(-c2cn(COCC[Si](C)(C)C)c(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.50
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
PAX8 Q06710 2/20 0.44
APP P05067 1/20 0.44
TLR8 Q9NR97 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5C P41229 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL24484640 0.86 DGAT1 (0.47) DGAT1NPC1RAB9APAX8APP
SCHEMBL15037358 0.84 DGAT1 (0.46) DGAT1TLR8KDM4EALDH1A1MAPT
SCHEMBL27338948 0.84 DGAT1 (0.54) DGAT1
SCHEMBL31351735 0.81 DGAT1 (0.48) DGAT1
SCHEMBL9936783 0.79 DGAT1 (0.77) DGAT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL67976 0.79 DGAT1 (0.50) DGAT1NPC1RAB9ATLR8
SCHEMBL16661146 0.79 DGAT1 (0.66) DGAT1TLR8
SCHEMBL22478638 0.79 DGAT1 (0.43) DGAT1NPC1RAB9APAX8TLR8
SCHEMBL15293920 0.77 DGAT1 (0.64) DGAT1
SCHEMBL19065558 0.76 DGAT1 (0.46) DGAT1TLR8

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-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed