SCHEMBL3794441

SCHEMBL3794441

CC(C)Oc1cccc2sccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
VEGFA P15692 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CTSA P10619 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL3794486 0.83 MCHR1 (0.42) MCHR1VEGFAADRA2AADRA2BSLC6A2
SCHEMBL827010 0.79 CA2 (0.44) ADRA2AADRA2BCA1CA2CA7
SCHEMBL914916 0.77 NR2E1 (0.37) VEGFAADRA2AALDH1A1SLC6A2SLC6A4
SCHEMBL10602566 0.75 MCHR1 (0.46) MCHR1IRAK4ADRA2AADRA2BCA1
SCHEMBL4801926 0.75 SLC6A2 (0.45) ADRA2BSLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL827357 0.74 ALDH1A1 (0.45) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL28744577 0.74 CA2 (0.44) CA1CA2CA7CA9ALDH1A1
Hydrochloric Acid SCHEMBL4806943 0.74 SLC6A2 (0.44) ADRA2BSLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL14993037 0.73 ADRA2A (0.37) VEGFAADRA2AADRA2BSLC6A2SLC6A4
SCHEMBL4805560 0.73 SLC6A2 (0.43) ADRA2BSLC6A2SLC6A4SLC6A3CYP1A2

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