SCHEMBL4977307

SCHEMBL4977307

C=C(CCCCN)C(=O)N(CCCC)CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
PAOX Q6QHF9 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ALDH2 P05091 1/20 0.36
DNM1 Q05193 8/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLG P00747 1/20 0.35

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
SCHEMBL6756914 0.95 CA12 (0.39) CA12CA1CA9MMP1MMP2
SCHEMBL6447601 0.95 CA12 (0.41) CA12CA1CA9PAOXMMP1
SCHEMBL9150179 0.93 CA1 (0.40) CA12CA1CA9MMP1MMP2
SCHEMBL4978423 0.91 PAOX (0.39) CA12CA9PAOXCYP2D6NFKB1
SCHEMBL4981736 0.89 CA12 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL6142622 0.89 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL6449555 0.88 DNM1 (0.39) CA12CA1CA9ALDH1A1DNM1
SCHEMBL6446465 0.88 DNM1 (0.39) CA12CA1CA9ALDH1A1DNM1
SCHEMBL6575286 0.88 CA12 (0.35) CA12CA1CA9MMP1MMP2
SCHEMBL1629571 0.87 CA1 (0.47) CA12CA1CA9MMP1MMP2

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