SCHEMBL3796715

SCHEMBL3796715

CCOc1cccc2ccoc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL3789397 0.86 MCHR1 (0.46) CA9CYP2A6
SCHEMBL3795511 0.84 MCHR1 (0.48)
SCHEMBL7928500 0.80 NCF1 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL7834298 0.79 HTR1A (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4313222 0.79 HTR1A (0.41) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL4180176 0.79 HTR1B (0.54) KDM4E
SCHEMBL5215396 0.79 HTR1A (0.41)
SCHEMBL595172 0.79 ALDH1A1 (0.58) ADORA3CA12CA1CA2CA9
SCHEMBL20541051 0.77 TXNRD1 (0.43) MAPTCYP2A6
SCHEMBL23761089 0.77 HTR1A (0.33) ADORA3ADORA2AADORA1

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