SCHEMBL13871663

SCHEMBL13871663

COCCOC(=O)CCCNCCC[Si](OC)(OC)OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.39
TSHR P16473 2/20 0.37
LTA4H P09960 2/20 0.36
EPHX2 P34913 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
TOP2A P11388 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13695952 0.94 LTA4H (0.37) DGKATSHRLTA4HSMN1; SMN2ALDH1A1
SCHEMBL14378860 0.87 DGKA (0.46) DGKATSHRALDH1A1CYP1A2MAPT
SCHEMBL28992799 0.84 LTA4H (0.39) DGKATSHRLTA4HEPHX2
SCHEMBL13978973 0.82 DGKA (0.50) DGKATSHRALDH1A1CYP1A2MAPT
SCHEMBL13897415 0.81 ACHE (0.40) DGKALTA4HEPHX2
SCHEMBL28059389 0.81 TSHR (0.36) DGKATSHRLTA4HALDH1A1MAPT
SCHEMBL15999305 0.81 LMNA (0.43) DGKALTA4HEPHX2ALDH1A1
SCHEMBL14201372 0.80 DGKA (0.39) DGKATSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL13260789 0.79 ADRA2A (0.50) TSHRLTA4HSMN1; SMN2CYP2C19MAPT
SCHEMBL13695948 0.78 DNM1 (0.47) LTA4HSMN1; SMN2ALDH1A1CYP1A2CYP3A4

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
US-20090099282-A1 Functionalized nanoparticles CIBA SPECIALTY CHEMICALS CORP. 2009-04-16 US disclosed