SCHEMBL6450877

SCHEMBL6450877

CCCCN(CCCC)C(=O)C(C)=CCCCCN

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
SLC6A5 Q9Y345 2/20 0.36
EP300 Q09472 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
EPHX2 P34913 1/20 0.34
DNM1 Q05193 7/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
PAOX Q6QHF9 1/20 0.32

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
SCHEMBL135642 0.95 CA12 (0.39) CA12CA1CA9SLC6A5EP300
SCHEMBL10423556 0.92 SLC6A5 (0.34) CA12CA9SLC6A5EP300DNM1
SCHEMBL8604795 0.90 EP300 (0.36) CA12CA1CA9SLC6A5EP300
SCHEMBL7098573 0.90 CA12 (0.40) CA12CA1CA9EP300MMP1
SCHEMBL6455129 0.89 EP300 (0.39) CA12CA1CA9SLC6A5EP300
SCHEMBL7103312 0.89 EP300 (0.39) CA12CA1CA9SLC6A5EP300
SCHEMBL2502252 0.85 PAOX (0.35) SLC6A5EP300DNM1PAOX
SCHEMBL7103880 0.84 ZDHHC20 (0.38) CA12CA1CA9EP300EPHX2
SCHEMBL28205531 0.81 CA12 (0.38) CA12CA1CA9EP300MMP1
SCHEMBL7098591 0.80 CA12 (0.36) CA12CA1CA9ALDH1A1TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509568-A1 RUBBER MIXTURES CONTAINING QUATERNARY POLYMERS AND POLAR SOFTENING AGENTS Lanxess Deutschland GmbH (DE) 2005-03-02 EP 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