SCHEMBL3386247

SCHEMBL3386247

C=Cc1ccc(CC[n+]2ccc(CNCC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
HDAC8 Q9BY41 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.30
CHKA P35790 1/20 0.30

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
SCHEMBL3280867 0.84 ALDH1A1 (0.46) L3MBTL1HDAC8LMNAALDH1A1TP53
SCHEMBL11148737 0.74 ALDH1A1 (0.42) L3MBTL1HDAC8ALDH1A1TP53THRB
Diethylamine SCHEMBL93913 0.73 ALDH1A1 (0.46) HDAC8LMNAALDH1A1CA1CA2
SCHEMBL11146572 0.73 ALDH1A1 (0.55) HDAC8LMNAALDH1A1TP53
Styrene SCHEMBL10628603 0.73 ALDH1A1 (0.52) ALDH1A1TP53
SCHEMBL13350186 0.71 SIGMAR1 (0.42) HDAC8ALDH1A1S1PR2S1PR4S1PR1
SCHEMBL52038 0.71 ALDH1A1 (0.52) HDAC8ALDH1A1CA2THRB
SCHEMBL15927522 0.71 HRH4 (0.47) L3MBTL1LMNAALDH1A1S1PR2S1PR4
SCHEMBL9189070 0.71 ALDH1A1 (0.48) HDAC8LMNAALDH1A1CA1CA2
SCHEMBL28783896 0.70 ROCK1 (0.36) LMNATP53

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