SCHEMBL7740893

SCHEMBL7740893

C=CC[Si](C)(C)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
NAMPT P43490 2/20 0.46
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RECQL P46063 1/20 0.41
HDAC1 Q13547 3/20 0.40
CYP1A2 P05177 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
ATR Q13535 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.39
XBP1 P17861 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL7740860 0.88 CA2 (0.47) NAMPTNR1H2NR1H3GAACA1
SCHEMBL7739224 0.81 NR1H2 (0.40) L3MBTL1NR1H2NR1H3GAACA1
SCHEMBL3180689 0.80 L3MBTL1 (0.61) L3MBTL1NAMPTGAACA1CA2
SCHEMBL7740834 0.79 ACE (0.53)
SCHEMBL13977501 0.79 NAMPT (0.52) L3MBTL1NAMPTGAACA1CA2
SCHEMBL19853209 0.78 L3MBTL1 (0.51) L3MBTL1NAMPTGAACA1CA2
SCHEMBL6021904 0.77 L3MBTL1 (0.53) L3MBTL1NAMPTGAACA1CA2
SCHEMBL3307112 0.76 L3MBTL1 (0.52) L3MBTL1NAMPTGAACA1CA2
SCHEMBL1580051 0.76 L3MBTL1 (0.54) L3MBTL1NAMPTGAACA1CA2
SCHEMBL7739226 0.76 CTSS (0.45) NR1H2NR1H3MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6416861-B1 COMBINATORIAL CHEMISTRY NORTHWESTERN UNIVERSITY 2002-07-09 US disclosed
WO-2000049022-A2 ORGANOSILICON COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2000-08-24 WO disclosed