SCHEMBL3360765

SCHEMBL3360765

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
LTA4H P09960 1/20 0.35
TAAR1 Q96RJ0 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC3 Q16853 4/20 0.33
SIGMAR1 Q99720 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL27802838 0.88 THRB (0.43) ALDH1A1THRATHRBLTA4HSIGMAR1
SCHEMBL3358140 0.84 ALDH1A1 (0.37) ALDH1A1THRBHRH3TAAR1AOC3
SCHEMBL3355201 0.84 SIGMAR1 (0.42) ALDH1A1HRH3TAAR1TDP1AOC3
SCHEMBL6808117 0.81 HDAC8 (0.46) ALDH1A1HRH3TDP1HDAC8TSHR
SCHEMBL3357943 0.81 ALDH1A1 (0.37) ALDH1A1HRH3TAAR1TDP1AOC3
SCHEMBL3355847 0.81 HRH3 (0.43) ALDH1A1THRBHRH3TAAR1TDP1
SCHEMBL19818741 0.80 TP53 (0.42) LTA4HTAAR1TDP1AOC3
SCHEMBL3357514 0.79 AOC3 (0.41) ALDH1A1HRH3TAAR1AOC3TAS1R3
SCHEMBL213342 0.79 HRH3 (0.59) ALDH1A1HRH3TAAR1AOC3SIGMAR1
Water SCHEMBL31031309 0.77 HRH3 (0.57) ALDH1A1HRH3TAAR1AOC3SIGMAR1

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 10 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
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