SCHEMBL3939670

SCHEMBL3939670

C[Si](C)(C)CCOCn1ccnc1/C=C/C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.34
DGAT1 O75907 5/20 0.32
KLKB1 P03952 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL1767760 0.81 DGAT1 (0.35) DGAT1PDE10A
SCHEMBL6906012 0.79 P4HB (0.40) DGAT1MAPT
SCHEMBL6906011 0.79 P4HB (0.40) DGAT1MAPT
SCHEMBL19810012 0.79 TBXAS1 (0.39) TBXAS1
SCHEMBL19810013 0.79 TBXAS1 (0.39) TBXAS1
SCHEMBL7500213 0.79 PTPN1 (0.38) NPC1MAPT
SCHEMBL7499463 0.78 MAPT (0.37) NPC1MAPT
SCHEMBL16203617 0.77 ACHE (0.35) DGAT1
SCHEMBL3973414 0.77 SMN1; SMN2 (0.35) DGAT1KLKB1NPC1MAPT
SCHEMBL15758042 0.76 SMN1; SMN2 (0.39) TBXAS1ESR1

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-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed