SCHEMBL3355201

SCHEMBL3355201

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HTR2A P28223 2/20 0.36
TAAR1 Q96RJ0 3/20 0.36
AOC3 Q16853 4/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL3360765 0.84 ALDH1A1 (0.41) SIGMAR1KDM4EALDH1A1HRH3TAAR1
SCHEMBL213342 0.81 HRH3 (0.59) SIGMAR1ALDH1A1HRH3TAAR1AOC3
Water SCHEMBL31031309 0.79 HRH3 (0.57) SIGMAR1ALDH1A1HRH3TAAR1AOC3
Hydrochloric Acid SCHEMBL31234736 0.79 HRH3 (0.57) SIGMAR1ALDH1A1HRH3TAAR1AOC3
SCHEMBL3355847 0.79 HRH3 (0.43) SIGMAR1ALDH1A1HRH3TAAR1AOC3
SCHEMBL3357943 0.79 ALDH1A1 (0.37) SIGMAR1ALDH1A1HRH3TAAR1AOC3
SCHEMBL28485893 0.78 ALDH1A1 (0.42) SIGMAR1ALDH1A1HRH3TAAR1AOC3
SCHEMBL3357514 0.77 AOC3 (0.41) ALDH1A1HRH3TAAR1AOC3
SCHEMBL18711188 0.77 KCNH2 (0.47) SIGMAR1KDM4EALDH1A1HRH3HTR2A
SCHEMBL3358825 0.76 ALDH1A1 (0.41) SIGMAR1ALDH1A1HRH3TAAR1

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 13 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
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