SCHEMBL3355847

SCHEMBL3355847

C=Cc1ccc(CCN(CC)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 1/20 0.37
AOC3 Q16853 4/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL3360166 0.81 SIGMAR1 (0.46) AOC3HDAC1HDAC3HDAC4KCNH2
SCHEMBL3360765 0.81 ALDH1A1 (0.41) HRH3ALDH1A1AOC3HDAC8TAS1R3
SCHEMBL3355201 0.79 SIGMAR1 (0.42) HRH3ALDH1A1AOC3TAAR1TDP1
SCHEMBL93912 0.79 ALDH1A1 (0.42) HRH3ALDH1A1AOC3KCNH2SIGMAR1
SCHEMBL13181175 0.77 TAAR1 (0.55) HRH3AOC3TAAR1SIGMAR1
SCHEMBL3358825 0.77 ALDH1A1 (0.41) HRH3ALDH1A1KCNH2TAAR1SIGMAR1
SCHEMBL3357943 0.77 ALDH1A1 (0.37) HRH3ALDH1A1AOC3KCNH2TAAR1
SCHEMBL3358140 0.77 ALDH1A1 (0.37) HRH3ALDH1A1AOC3TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL27856576 0.77 ALDH1A1 (0.37) HRH3ALDH1A1AOC3KCNH2CHRNB2
Styrene SCHEMBL9719306 0.75 ALDH1A1 (0.54) ALDH1A1KCNH2HDAC8TDP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177562-B1 Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND (JP) 2014-05-14 EP disclosed
EP-2184318-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2014-03-19 EP disclosed
CN-101724185-B Rubber composition and tire SUMITOMO RUBBER IND 2013-10-23 CN disclosed
CN-101724184-B Rubber composition and tire SUMITOMO RUBBER IND 2013-05-01 CN disclosed
US-8431644-B2 Rubber composition and tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-04-30 US disclosed
EP-2182028-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2012-12-12 EP disclosed
CN-101724185-A Rubber composition and tire SUMITOMO RUBBER IND 2010-06-09 CN disclosed
CN-101724184-A Rubber composition and tire SUMITOMO RUBBER IND 2010-06-09 CN disclosed
CN-101724127-A Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND 2010-06-09 CN disclosed
EP-2184318-A2 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-12 EP disclosed
EP-2182028-A1 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-05 EP disclosed
US-20100105826-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-29 US disclosed
US-20100099795-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
US-20100099810-A1 POLYMER, RUBBER COMPOSITION AND TIRE USING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
EP-2177562-A2 Polymer, rubber composition and tire using the same Sumitomo Rubber Industries, Ltd. (JP) 2010-04-21 EP disclosed