SCHEMBL3356598

SCHEMBL3356598

C=Cc1ccc(CCN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.49
OPRM1 P35372 5/20 0.49
OPRD1 P41143 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
BCHE P06276 3/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL3356121 0.97 OPRK1 (0.53) OPRK1OPRM1OPRD1L3MBTL1BCHE
SCHEMBL3356627 0.91 BCHE (0.50) OPRK1OPRM1OPRD1BCHECA12
SCHEMBL9634709 0.87 ALDH1A1 (0.52) L3MBTL1ALDH1A1TSHRCA1CA2
SCHEMBL18493252 0.87 ALDH1A1 (0.52) L3MBTL1ALDH1A1TSHRCA1CA2
SCHEMBL3356576 0.87 BCHE (0.54) OPRK1OPRM1OPRD1BCHE
SCHEMBL12049809 0.85 OPRK1 (0.61) OPRK1OPRM1OPRD1L3MBTL1BCHE
SCHEMBL3360495 0.83 SIGMAR1 (0.54) ALDH1A1TSHRTAAR1
SCHEMBL6390256 0.83 ALDH1A1 (0.50) ALDH1A1TSHRHDAC8HTT
SCHEMBL231061 0.83 OPRK1 (0.63) OPRK1OPRM1OPRD1L3MBTL1BCHE
SCHEMBL13051057 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTRPM8HDAC3HDAC4

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-20100099810-A1 POLYMER, RUBBER COMPOSITION AND TIRE USING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
US-20100099795-A1 RUBBER COMPOSITION AND TIRE 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