SCHEMBL3789129

SCHEMBL3789129

COS(=O)(=O)c1ccc2ccoc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
CA2 P00918 8/20 0.42
CA12 O43570 7/20 0.42
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1B P28222 4/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL3793838 0.86 CA2 (0.51) CHRM2CHRM1CHRM3CA2CA12
SCHEMBL18133259 0.80 CHRM2 (0.45) CHRM2CHRM1CHRM3CA2CA12
SCHEMBL9147485 0.77 L3MBTL1 (0.46) CA2CA12CA1CA9KDM4E
SCHEMBL22531865 0.77 CHRM2 (0.42) CHRM2CHRM1CHRM3CA2CA12
SCHEMBL2182261 0.77 LMNA (0.50) CHRM2CHRM1CHRM3CA2CA12
SCHEMBL3796667 0.77 HSD17B10 (0.43) CHRM2CHRM1CHRM3CA2CA12
SCHEMBL13363627 0.76 L3MBTL1 (0.54) CHRM2CHRM1CHRM3CA2CA12
SCHEMBL25511891 0.76 ALDH1A1 (0.43) CHRM2CHRM1CHRM3CA2CA12
SCHEMBL12655523 0.72 ALDH1A1 (0.49) CHRM2CHRM1CHRM3CA2CA1
SCHEMBL12622316 0.72 ALDH1A1 (0.52) CHRM2CHRM1CHRM3KDM4ECYP3A4

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