SCHEMBL3791817

SCHEMBL3791817

O=S(=O)(O)c1cccc2ccoc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
FABP4 P15090 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK14 Q16539 1/20 0.39
NR4A1 P22736 1/20 0.38
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PKLR P30613 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MYC P01106 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 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
Hydrochloric Acid SCHEMBL28047353 0.98 TTR (0.38) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1037671 0.82 AKT1 (0.36) AKT1PIK3CAMTORPKLRCA1
SCHEMBL15896279 0.81 CA1 (0.45) AKT1PIK3CAMTORPKLRCA1
SCHEMBL1037129 0.81 CA2 (0.50) CDK2AKT1PIK3CAMTORCA1
SCHEMBL3796728 0.77 MEN1 (0.36) AKT1PIK3CAMTORCA1CA2
SCHEMBL29142087 0.73 EPHB4 (0.40) TTRFABP4CCNA2CDK2MAPK14
Hydrochloric Acid SCHEMBL28293567 0.72 ACLY (0.48) CA1CA2CA9CYP3A4MAPT
SCHEMBL1742117 0.70 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6517159 0.69 TTR (0.52) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL3796612 0.69 TTR (0.47) TTRFABP4CCNA2CDK2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed