SCHEMBL3791985

SCHEMBL3791985

CCC(C)Oc1ccc2occc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.47
HTR1B P28222 5/20 0.46
CA12 O43570 5/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CTNNB1 P35222 3/20 0.39
WNT3A P56704 3/20 0.39
CYP2A6 P11509 2/20 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
SCHEMBL3798893 0.87 HTR1B (0.46) CA2HTR1BCA12CHRNB4CHRNA3
SCHEMBL3794109 0.83 CA2 (0.46) CA2HTR1BCA12CHRNB4CHRNA3
SCHEMBL7928477 0.79 CA2 (0.43) CA2HTR1BCA12CHRNB4CHRNA3
SCHEMBL8498924 0.79 SIGMAR1 (0.55)
SCHEMBL14329524 0.77 CYP2A6 (0.60) CA2CA12CYP2A6
SCHEMBL14802475 0.77 CYP2A6 (0.60) CA2CA12CYP2A6
SCHEMBL14802634 0.77 CYP2A6 (0.60) CA2CA12CYP2A6
SCHEMBL3791638 0.76 CA2 (0.51) CA2HTR1BCA12CHRNB4CHRNA3
SCHEMBL26661271 0.76 KDM4E (0.61) CA2CA12
SCHEMBL26661263 0.76 KDM4E (0.61) CA2CA12

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