SCHEMBL4975708

SCHEMBL4975708

CC/C=C(\C(N)=O)N(CCC)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
CA1 P00915 2/20 0.33
APP P05067 1/20 0.33
FAAH O00519 2/20 0.32
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL4981723 0.88 CA12 (0.44) CA12CA2CA9ALDH1A1HPGD
SCHEMBL4978049 0.86 CA12 (0.39) CA12CA2CA9TSHRMAPK1
SCHEMBL6449250 0.85 FAAH (0.42) CA12CA2CA9TP53CA1
SCHEMBL4901298 0.83 LMNA (0.34)
SCHEMBL2503815 0.83 LMNA (0.34)
SCHEMBL4978414 0.82 GRIK1 (0.37) CA12CA2CA9TSHRMAPK1
SCHEMBL2013216 0.81 CA12 (0.41) CA12CA2CA9TSHRMAPK1
SCHEMBL5187289 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL407636 0.76 GRIK1 (0.31) ALDH1A1FAAH
SCHEMBL4899847 0.76 GRIK1 (0.31) ALDH1A1FAAH

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 24 patents — showing the first 20. 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
WO-2003099921-A1 RUBBER MIXTURES CONTAINING QUATERNARY POLYMERS AND POLAR SOFTENING AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 WO disclosed
US-20030220428-A1 Rubber mixtures containing quaternary polymers and polar plasticizers BAYER AKTIENGESELLSCHAFT (DE) 2003-11-27 US disclosed
EP-0882738-B1 DIENE RUBBER, PROCESS FOR PRODUCING THE RUBBER AND RUBBER COMPOSITION CONTAINING THE SAME ZEON CORP (JP) 2002-11-20 EP disclosed
US-20020120086-A1 Quaternary polymers with functional amine groups field of the invention BAYER AKTIENGESELLSCHAFT (DE) 2002-08-29 US disclosed
EP-0849321-B1 DIENE RUBBER COMPOSITION ZEON CORP (JP) 2002-03-20 EP disclosed
WO-2002020632-A1 QUATERNARY POLYMERS WITH FUNCTIONAL AMINE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
US-6147178-A RUBBER COMPRISING DIENE-VINYL AROMATIC COPOLYMER BEARING QUATERNARY AMMONIUM GROUPS; TENSILE STRENGTH, WEAR RESISTANCE, HEAT RESISTANCE, IMPROVED AFFINITY FOR SILICA REINFORCEMENT NIPPON ZEON CO., LTD. (JP) 2000-11-14 US disclosed
US-6013737-A HAVING IMPROVED TENSILE MODULUS AND IMPROVED ABRASION RESISTANCE, COMPRISING AN AMINO GROUP-CONTAINING DIENE RUBBER OF GIVEN MOONEY VISCOSITY, AND SILICA HAVING SPECIFIC SURFACE AREA, A VULCANIZER AND VULCANIZATION ACCELERATOR NIPPON ZEON CO., LTD. (JP) 2000-01-11 US disclosed
EP-0882738-A1 DIENE RUBBER, PROCESS FOR PRODUCING THE RUBBER AND RUBBER COMPOSITION CONTAINING THE SAME NIPPON ZEON CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0849321-A1 DIENE RUBBER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1998-06-24 EP disclosed