SCHEMBL3797751

SCHEMBL3797751

CCC(C)Oc1cccc2occc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
MCHR1 Q99705 2/20 0.42
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
HTR2B P41595 3/20 0.36
CYP2A6 P11509 3/20 0.36
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
FTO Q9C0B1 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
DRD1 P21728 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
TRPA1 O75762 1/20 0.32
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL3791653 0.83 KCNA3 (0.47) KCNA3MCHR1HTR2AHTR2CHTR2B
SCHEMBL22030768 0.80 KCNA3 (0.45) KCNA3HTR2AHTR2CHTR2BCYP2A6
SCHEMBL11003591 0.77 KCNA3 (0.44) KCNA3MAOBMTNR1AMTNR1B
SCHEMBL827370 0.76 KCNA3 (0.59) KCNA3HTR2AHTR2CHTR2BCYP2A6
SCHEMBL11807170 0.75 KCNA3 (0.39) KCNA3HTR2AHTR2CHTR2BCYP2A6
SCHEMBL3789173 0.74 MCHR1 (0.49) MCHR1
SCHEMBL3797704 0.73 KCNA3 (0.65) KCNA3MCHR1HTR2AHTR2CHTR2B
SCHEMBL827270 0.73 CYP2A6 (0.55) KCNA3HTR2AHTR2CHTR2BCYP2A6
SCHEMBL29761716 0.73 CYP2A6 (0.55) KCNA3HTR2AHTR2CHTR2BCYP2A6
SCHEMBL9477167 0.73 MCHR1 (0.54) MCHR1HTR2AHTR2CHTR2BSLC6A2

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