SCHEMBL7103880

SCHEMBL7103880

CCCCCCN(CCCCCC)C(=O)C(C)=CCCN

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
EP300 Q09472 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOAT1 P35610 1/20 0.35
MGLL Q99685 1/20 0.34
EPHX2 P34913 4/20 0.34
DNM1 Q05193 3/20 0.33

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
SCHEMBL7098573 0.93 CA12 (0.40) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6455129 0.92 EP300 (0.39) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL7103312 0.92 EP300 (0.39) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL8604795 0.90 EP300 (0.36) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL7098591 0.86 CA12 (0.36) CA12CA1CA9CA2TP53
SCHEMBL135642 0.85 CA12 (0.39) CA12CA1CA9EP300MEN1
SCHEMBL6450877 0.84 CA12 (0.38) CA12CA1CA9EP300MEN1
SCHEMBL2506802 0.79 HTT (0.33)
SCHEMBL10423556 0.79 SLC6A5 (0.34) CA12CA9CA2EP300MEN1
SCHEMBL28205531 0.78 CA12 (0.38) CA12CA1CA9CA2EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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