SCHEMBL858044

SCHEMBL858044

CCC/C=C(\C)C(=O)NN(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CCR2 P41597 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30

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
SCHEMBL565768 1.00 KDM7A (0.32) KDM7APHF8KDM2ACCR2GRIK1
SCHEMBL27505081 0.89 CCR2 (0.37) KDM7APHF8KDM2ACCR2GRIK1
SCHEMBL3653690 0.83 KDM7A (0.34) KDM7APHF8KDM2A
SCHEMBL8535646 0.82 KDM4E (0.33) CCR2
Trimethylammonium SCHEMBL2376780 0.78 ALDH1A1 (0.31) CCR2
SCHEMBL28690185 0.77 CCR2 (0.33) CCR2GRIK1GRIK2
SCHEMBL383606 0.77 HDAC8 (0.36) CCR2GRIK1GRIK2
SCHEMBL29283244 0.77 CCR2 (0.30) CCR2
SCHEMBL27375543 0.75 KDM7A (0.36) KDM7APHF8KDM2A
SCHEMBL340695 0.75 CTSD (0.38) CCR2GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805939-B2 2011-11-02 JP claimed
EP-1793916-A4 COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS UNIV MCMASTER (CA) 2008-05-14 EP claimed
EP-1793916-A1 COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS McMaster University (CA) 2007-06-13 EP claimed
WO-2006034575-A1 COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS MCMASTER UNIVERSITY (CA) 2006-04-06 WO claimed