SCHEMBL3168992

SCHEMBL3168992

C=CCCCCCCCCC(=O)N(C)CCNC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
EPHX2 P34913 4/20 0.44
ABCC4 O15439 1/20 0.44
MAPT P10636 1/20 0.44
KDM4A O75164 6/20 0.42
KDM4C Q9H3R0 6/20 0.42
CNR1 P21554 1/20 0.38
FAAH O00519 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
CHRM2 P08172 1/20 0.34
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34

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
SCHEMBL16802992 0.85 EPHX2 (0.54) ALDH1A1LMNAEPHX2ABCC4MAPT
SCHEMBL23065435 0.81 EPHX2 (0.61) ALDH1A1LMNAEPHX2ABCC4MAPT
SCHEMBL1834688 0.80 EPHX2 (0.53) ALDH1A1EPHX2KDM4AKDM4CCNR1
SCHEMBL23732698 0.80 KDM4A (0.46) ALDH1A1EPHX2KDM4AKDM4CBCHE
SCHEMBL1830915 0.80 EPHX2 (0.53) ALDH1A1EPHX2KDM4AKDM4CCNR1
SCHEMBL23732848 0.80 EPHX2 (0.53) ALDH1A1EPHX2KDM4AKDM4CCNR1
SCHEMBL1837811 0.80 EPHX2 (0.53) ALDH1A1EPHX2KDM4AKDM4CCNR1
SCHEMBL1832887 0.80 EPHX2 (0.53) ALDH1A1EPHX2KDM4AKDM4CCNR1
SCHEMBL3112105 0.79 MAPT (0.57) ALDH1A1LMNAEPHX2ABCC4MAPT
SCHEMBL3112734 0.79 MAPT (0.57) ALDH1A1LMNAEPHX2ABCC4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817109-B1 MIXED-MODAL ANION-EXCHANGE TYPE SEPARATION MATERIAL MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-7648636-B2 A chromatographic support including an immobilized ligand which combines an anion-exchange domain comprising an oligocyclic aza compound with endocyclic nitrogen and a non-ionic, second binding domain to allow adjustment of the overall hydrophobicity/hydrophilicity; separation; purification; peptides MERCK PATENT GMBH (DE) 2010-01-19 US disclosed
US-20080164211-A1 Mixed-Modal Anion-Exchanged Type Separation Material MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
EP-1817109-A1 MIXED-MODAL ANION-EXCHANGE TYPE SEPARATION MATERIAL Merck Patent GmbH (DE) 2007-08-15 EP disclosed
EP-1693108-A1 Mixed-modal anion-exchange type separation material MERCK PATENT GmbH (DE) 2006-08-23 EP disclosed
WO-2006058623-A1 MIXED-MODAL ANION-EXCHANGE TYPE SEPARATION MATERIAL MERCK PATENT GMBH (DE) 2006-06-08 WO disclosed