SCHEMBL7740890

SCHEMBL7740890

C=CCc1ccc(CNC(=O)OC(C)(C)C)c([SiH](C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NAMPT P43490 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36
PTGS1 P23219 1/20 0.36
GAA P10253 1/20 0.36
KCNA5 P22460 1/20 0.35
GLS O94925 1/20 0.35
PPARA Q07869 1/20 0.35
IDO1 P14902 1/20 0.34
ALOX5 P09917 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL7740857 0.89 NQO2 (0.43) NAMPTADRB2HTR1AMEN1KMT2A
SCHEMBL24199938 0.78 GLS (0.54) KDM4AL3MBTL1NAMPTHDAC1GLS
SCHEMBL7739219 0.76 PPARA (0.40) PPARA
SCHEMBL7732390 0.73 PPARA (0.40) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL7732384 0.72 XDH (0.44) MEN1KMT2APTGS1GAAPPARA
SCHEMBL7738413 0.71 PPARA (0.36) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL7732427 0.71 ALDH1A1 (0.40) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL28370905 0.71 DYRK1A (0.47) KDM4AL3MBTL1NAMPTNPC1RAB9A
SCHEMBL30493018 0.71 DYRK1A (0.47) KDM4AL3MBTL1NAMPTNPC1RAB9A
SCHEMBL3180689 0.70 L3MBTL1 (0.61) KDM4AL3MBTL1HDAC10HDAC6NAMPT

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