SCHEMBL2495438

SCHEMBL2495438

CCC/C=C(/NC(C)N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 1/20 0.46
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL5693379 0.74 GRIK1 (0.40) GRIK1GRIK2
SCHEMBL2192227 0.73 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL5693362 0.72 GRIK1 (0.39) GRIK1GRIK2
SCHEMBL10791524 0.72 EP300 (0.41)
SCHEMBL16697925 0.71 GRIK1 (0.50) GRIK1GRIK2ALDH1A1CYP1A2CYP3A4
SCHEMBL433398 0.69 GRIK1 (0.37) GRIK1GRIK2
SCHEMBL20094760 0.69 MEN1 (0.34) GRIK1GRIK2ALDH1A1CYP1A2CYP3A4
Ethylamine SCHEMBL28030590 0.69 CYP2D6 (0.37) ALDH1A1
SCHEMBL7564329 0.67 GRIK1 (0.46) GRIK1GRIK2ALDH1A1CYP1A2CYP3A4
SCHEMBL7564325 0.67 GRIK1 (0.46) GRIK1GRIK2ALDH1A1CYP1A2CYP3A4

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
US-8029961-B2 Toner for developing latent electrostatic image, method for producing the same and apparatus for producing the same, and developer, toner container, process cartridge, image forming method and image forming apparatus RICOH COMPANY, LTD. (JP) 2011-10-04 US disclosed
US-20090170018-A1 TONER FOR DEVELOPING LATENT ELECTROSTATIC IMAGE, METHOD FOR PRODUCING THE SAME AND APPARATUS FOR PRODUCING THE SAME, AND DEVELOPER, TONER CONTAINER, PROCESS CARTRIDGE, IMAGE FORMING METHOD AND IMAGE FORMING APPARATUS RICOH COMPANY, LTD. (JP) 2009-07-02 US disclosed
EP-1186638-B1 Use of a printing ink, printing method and printed packaging material TOYO SEIKAN KAISHA LTD (JP) 2006-06-07 EP disclosed
EP-1186638-A1 Printing ink, printing method and printed packaging material TOYO SEIKAN KAISHA LIMITED (JP) 2002-03-13 EP disclosed