SCHEMBL7733646

SCHEMBL7733646

COC12CCCCC1(C(C)=O)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 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
SCHEMBL7733760 0.80
SCHEMBL7252089 0.77 ALDH1A1 (0.32) NPSR1
SCHEMBL7251613 0.75 ALDH1A1 (0.31) NPSR1
SCHEMBL7248353 0.72
SCHEMBL7248352 0.72
SCHEMBL16653017 0.71
SCHEMBL4612162 0.70 NPSR1 (0.33) NPSR1
SCHEMBL4612158 0.70 NPSR1 (0.33) NPSR1
SCHEMBL7737332 0.69 ALDH1A1 (0.32)
SCHEMBL12928737 0.69 NPSR1 (0.37) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed