SCHEMBL4978433

SCHEMBL4978433

C=C(CN)C(=O)N(CCC)CCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
CA2 P00918 4/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35
CA1 P00915 4/20 0.34
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MLYCD O95822 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
SCHEMBL4974659 0.88 CA12 (0.45) CA12CA9CA2TSHRALDH1A1
SCHEMBL4975719 0.83 CA12 (0.39) CA12CA9CA2TSHRMAPK1
SCHEMBL4976102 0.82 LMNA (0.36) CA12CA9TSHRALDH1A1HPGD
SCHEMBL11521817 0.82 TSHR (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL10587439 0.80 CA12 (0.36) CA12CA9CA2TSHRMAPK1
SCHEMBL4978063 0.80 CYP1A2 (0.37) CA12CA9CA2TSHRMAPK1
SCHEMBL1628759 0.80 CA12 (0.43) CA12CA9CA2TSHRMAPK1
SCHEMBL4978423 0.79 PAOX (0.39) CA12CA9CA2TSHRMAPK1
SCHEMBL1629289 0.77 CES1 (0.41) CA12CA9CA2TSHRMAPK1
SCHEMBL6575286 0.76 CA12 (0.35) CA12CA9CA2TSHRMAPK1

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-2818505-B1 TIRE RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2017-02-01 EP disclosed
EP-2787033-B1 RUBBER COMPOSITION FOR TYRE, AND PNEUMATIC TYRE SUMITOMO RUBBER IND (JP) 2016-09-14 EP disclosed
US-9340663-B2 Rubber composition for tire, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-05-17 US disclosed
EP-2818505-A1 TIRE RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2014-12-31 EP disclosed
US-20140371372-A1 TIRE RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-12-18 US disclosed
US-20140323660-A1 RUBBER COMPOSITION FOR TIRE, AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-10-30 US disclosed
US-8865836-B2 Tire rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-10-21 US disclosed
EP-2787033-A1 RUBBER COMPOSITION FOR TYRE, AND PNEUMATIC TYRE Sumitomo Rubber Industries, Ltd. (JP) 2014-10-08 EP disclosed
EP-2543702-B1 Tire rubber composition and pneumatic tire SUMITOMO RUBBER IND (JP) 2013-09-11 EP disclosed
US-20130012660-A1 TIRE RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-01-10 US disclosed
EP-2543702-A1 Tire rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES LIMITED (JP) 2013-01-09 EP disclosed
US-7339005-B2 Process for producing modified diene polymer rubber SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-04 US disclosed
US-20040152845-A1 Process for producing modified diene polymer rubber SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-05 US disclosed