SCHEMBL3357514

SCHEMBL3357514

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.41
ALDH1A1 P00352 1/20 0.38
BCHE P06276 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
OPRM1 P35372 6/20 0.37
OPRD1 P41143 6/20 0.37
OPRK1 P41145 6/20 0.37
TAAR1 Q96RJ0 3/20 0.35
KCNH2 Q12809 1/20 0.34
CYP51A1 Q16850 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL93912 0.80 ALDH1A1 (0.42) AOC3ALDH1A1HRH3OPRM1OPRD1
SCHEMBL213342 0.80 HRH3 (0.59) AOC3ALDH1A1HRH3TAAR1KCNH2
SCHEMBL5034577 0.80 ALDH1A1 (0.46) AOC3ALDH1A1TAS1R3TAS1R1
SCHEMBL3360765 0.79 ALDH1A1 (0.41) AOC3ALDH1A1HRH3TAAR1TAS1R3
SCHEMBL610732 0.79 DRD2 (0.50) ALDH1A1HRH3OPRM1OPRD1OPRK1
Water SCHEMBL31031309 0.78 HRH3 (0.57) AOC3ALDH1A1HRH3TAAR1KCNH2
Hydrochloric Acid SCHEMBL31234736 0.78 HRH3 (0.57) AOC3ALDH1A1HRH3TAAR1KCNH2
SCHEMBL21407986 0.78 HRH3 (0.44) ALDH1A1HRH3TAAR1KCNH2
SCHEMBL3355201 0.77 SIGMAR1 (0.42) AOC3ALDH1A1HRH3TAAR1
SCHEMBL5034601 0.77 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1

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-101724127-A Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND 2010-06-09 CN disclosed
CN-101724184-A Rubber composition and tire 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