SCHEMBL7740860

SCHEMBL7740860

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
NAMPT P43490 1/20 0.46
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.39
PTGER4 P35408 1/20 0.39
NQO2 P16083 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 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
SCHEMBL7740893 0.88 L3MBTL1 (0.48) CA2CA1NAMPTMAPTTDP1
SCHEMBL97962 0.78 CA2 (0.48) CA2CA1NAMPTPOLB
SCHEMBL694269 0.76 CA2 (0.54) CA2CA1NAMPTMAPTTDP1
SCHEMBL100146 0.76 KDM4E (0.60) CA2CA1NAMPTMAPTTDP1
SCHEMBL12283041 0.76 NPC1 (0.60) CA2CA1NAMPTMAPTTDP1
SCHEMBL1569661 0.76 CA2 (0.56) CA2CA1NAMPTMAPTTDP1
SCHEMBL27741035 0.76 CA2 (0.56) CA2CA1NAMPTMAPTTDP1
SCHEMBL21314041 0.76 CA1 (0.52) CA2CA1NAMPTALDH1A1
SCHEMBL8757517 0.75 CA2 (0.53) CA2CA1NAMPTMAPTTDP1
SCHEMBL693427 0.75 CA2 (0.53) CA2CA1NAMPTMAPTTDP1

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