SCHEMBL3262382

SCHEMBL3262382

COc1ccn(COCC[Si](C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.34
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NPC1 O15118 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
SCHEMBL30877517 0.85 DGAT1 (0.44) DGAT1NPC1
SCHEMBL28496046 0.80 DGAT1 (0.38) DGAT1NPC1
SCHEMBL17394885 0.80 DGAT1 (0.35) DGAT1
SCHEMBL16611601 0.79 DGAT1 (0.40) DGAT1NPC1
SCHEMBL28624418 0.79 DGAT1 (0.37) DGAT1NPC1
SCHEMBL28912548 0.79 DGAT1 (0.34) DGAT1NPC1
SCHEMBL10200583 0.79 DGAT1 (0.34) DGAT1NPC1
SCHEMBL30877301 0.79 DGAT1 (0.34) DGAT1NPC1
SCHEMBL28627973 0.76 DGAT1 (0.33) DGAT1NPC1
SCHEMBL29057679 0.76 DGAT1 (0.34) 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-2010005528-A2 PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES IRONWOOD PHARMACEUTICALS INCORPORATED (US) 2010-01-14 WO claimed