SCHEMBL6446465

SCHEMBL6446465

C=C(CCCN)C(=O)N(CCCCCC)CCCCCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
MGLL Q99685 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
CA4 P22748 1/20 0.36
CES2 O00748 3/20 0.35
CES1 P23141 3/20 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
SCHEMBL6449555 1.00 DNM1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6447601 0.93 CA12 (0.41) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6449251 0.92 ZDHHC20 (0.40) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6756914 0.90 CA12 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL1629808 0.90 MGLL (0.43) MEN1KMT2AALDH1A1TSHRZDHHC20
SCHEMBL4977307 0.88 CA12 (0.40) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9150179 0.88 CA1 (0.40) DNM1ALDH1A1CA12CA1CA2
SCHEMBL4978063 0.88 CYP1A2 (0.37) KMT2AALDH1A1TSHRCA12CA1
SCHEMBL1079303 0.88 CES2 (0.43) MEN1KMT2AALDH1A1TSHRZDHHC20
SCHEMBL1629316 0.88 CA12 (0.41) MEN1KMT2AALDH1A1TSHRZDHHC20

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