SCHEMBL6450874

SCHEMBL6450874

CCCC/C(=C(/C)C(N)=O)N(CCCC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.34
ALDH2 P05091 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
FAAH O00519 3/20 0.33
CA2 P00918 1/20 0.32
MEN1 O00255 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
SCHEMBL10423554 0.93 CES1 (0.38) CA1CA12CA9MMP1MMP2
SCHEMBL135639 0.93 CA12 (0.42) CA1CA12CA9MMP1MMP2
SCHEMBL28127568 0.93 CA12 (0.42) CA1CA12CA9MMP1MMP2
SCHEMBL8604788 0.87 CA12 (0.37) CA1CA12CA9MMP1MMP2
SCHEMBL6911768 0.87 CA1 (0.44) CA1CA12CA9MMP1MMP2
SCHEMBL28159724 0.87 CES1 (0.39) CA1CA12CA9CES1CES2
SCHEMBL2502247 0.87 CES1 (0.39) CA1CA12CA9CES1CES2
SCHEMBL28127574 0.87 CA1 (0.44) CA1CA12CA9MMP1MMP2
SCHEMBL6449814 0.86 CA12 (0.39) CA1CA12CA9CES1CES2
SCHEMBL7103305 0.86 CA12 (0.39) CA1CA12CA9CES1CES2

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