SCHEMBL4066563

SCHEMBL4066563

CCCCCCN1CN(C)C(C)=C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
ALDH1A1 P00352 3/20 0.38
THRB P10828 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GBA1 P04062 1/20 0.38
EEF2K O00418 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 3/20 0.35
FAAH O00519 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GUSB P08236 2/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL411687 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1THRB
SCHEMBL4062055 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1THRB
SCHEMBL4058237 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1THRB
SCHEMBL4234739 1.00 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1THRB
Bromide SCHEMBL11538259 0.98 ALDH1A1 (0.38) GNAI3GNAO1GNAI1ALDH1A1THRB
SCHEMBL413469 0.91 KMT2A (0.38) ALDH1A1THRBGAAMAPT
SCHEMBL29220054 0.86 MEN1 (0.35) ALDH1A1THRBGAAMAPT
SCHEMBL486569 0.82
SCHEMBL13227911 0.73 GNAI3 (0.37) GNAI3GNAO1GNAI1ALDH1A1GAA
Iodide SCHEMBL3793365 0.72 GNAI3 (0.36) GNAI3GNAO1GNAI1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
WO-2009024312-A2 METHOD FOR THE PRODUCTION AND STABILIZATION OF FUNCTIONAL METAL NANOPARTICLES IN IONIC LIQUIDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-02-26 WO disclosed